LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Cr", "Re" ]

24

A7B5

Cr7Re5

Cr7 Re5

2

[ 1, 1, 1 ]

3

[ [ 4.937510696, 0, 0 ], [ -2.468755348, 4.276009694, 0 ], [ 0, 0, 15.340293092 ] ]

oqmd-6623829

[ [ 2.4687599999999996, 0, 0 ], [ -1.234374875583245, 2.1380000000000003, 0 ], [ 1.2343799999999998, 2.1380000000000003, 0 ], [ 0, 0, 1.41672 ], [ 1.4218167380197269e-18, 2.85067, 1.7672799999999995 ], [ 1.4218167380197269e-18, 2.85067, 5.90287 ], [ 0, 0, 6.25343 ], [ 2.4687599999999996, 0, 7.670149999999999 ], [ -1.234374875583245, 2.1380000000000003, 7.670149999999999 ], [ 1.2343799999999998, 2.1380000000000003, 7.670149999999999 ], [ 0, 0, 9.086869999999998 ], [ 2.4687599999999996, 1.42534, 9.43743 ], [ 2.4687599999999996, 1.42534, 13.573009999999998 ], [ 0, 0, 13.92357 ], [ 2.4687599999999996, 1.42534, 2.3028199999999996 ], [ 1.8308502417245404e-17, 1.4047000000000005, 3.835069999999999 ], [ -1.25225, 3.5736600000000003, 3.835069999999999 ], [ 1.25225, 3.5736600000000003, 3.835069999999999 ], [ 2.4687599999999996, 1.42534, 5.36733 ], [ 1.4218167380197269e-18, 2.85067, 9.97297 ], [ 1.21651, 0.7023500000000001, 11.505219999999998 ], [ 3.721000000000001, 0.7023500000000001, 11.505219999999998 ], [ 2.4687599999999996, 2.87131, 11.505219999999998 ], [ 1.4218167380197269e-18, 2.85067, 13.03747 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re" ]

2024-11-01 00:00:00

[ 0.5833333333333334, 0.4166666666666667 ]

[ [ 33.34135367, 0, 0 ], [ 0, 33.34135367, 0 ], [ 0, 0, 16.43923036 ] ]

-251.009

[ -0.165, -0.122, -0.184, 1.926, 0.082, 0.101, 1.909, -0.178, -0.127, -0.188, 1.909, 0.101, 0.082, 1.926, -0.075, -0.071, -0.052, -0.092, -0.075, -0.075, -0.092, -0.052, -0.071, -0.075 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.005597 ], [ 0, 0, 0.041418 ], [ 0, 0, -0.041418 ], [ 0, 0, -0.005597 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.005597 ], [ 0, 0, 0.041418 ], [ 0, 0, -0.041418 ], [ 0, 0, -0.005597 ], [ 0, 0, 0.022107 ], [ 0, 0.003308, 0 ], [ 0.002865, -0.001654, 0 ], [ -0.002865, -0.001654, 0 ], [ 0, 0, -0.022107 ], [ 0, 0, 0.022107 ], [ 0.002865, 0.001654, 0 ], [ -0.002865, 0.001654, 0 ], [ 0, -0.003308, 0 ], [ 0, 0, -0.022107 ] ]

6.63249

null

pbe

false

dc85b9004301df43d95c981bee489735_194_Cr14Re10

[ "Ac", "Re", "Y" ]

3

ABC

AcReY

Ac1 Re1 Y1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.526525, 3.526525 ], [ 3.526525, 0, 3.526525 ], [ 3.526525, 3.526525, 0 ] ]

oqmd-4325511

[ [ 1.7632599999999972, 1.7632599999999972, 1.7632599999999972 ], [ 0, 0, 0 ], [ 5.289790000000003, 5.289790000000003, 5.289790000000003 ] ]

[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Ac", "Re", "Y" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.68285, 0, 0 ], [ 0, 2.68285, 0 ], [ 0, 0, 2.68285 ] ]

-21.7683

[ -0.001, 0.004, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00131

null

pbe

true

9a56ec93bd728bd7a140025925cf115e_216_Ac1Y1Re1

[ "B", "Dy", "Er" ]

6

A4BC

B4DyEr

B4 Dy1 Er1

3

[ 1, 1, 1 ]

3

[ [ -1.64116162, 2.841865226, 3.828296239 ], [ 1.64116162, -2.841865226, 3.828296239 ], [ 1.64116162, 2.841865226, -3.828296239 ] ]

oqmd-8013360

[ [ 1.4187071452215498e-17, 1.89467, 1.9161200000000005 ], [ 1.64116, -0.9471999999999998, 1.91218 ], [ -8.794274087833105e-17, 3.789060000000001, 1.9161200000000007 ], [ 1.6411600000000002, 0.9471999999999998, 1.91218 ], [ -4.324892481656446e-17, -7.169251084714691e-17, 3.828300000000001 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]

[ "B", "B", "B", "B", "Dy", "Er" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 5.97631197, 0, 0 ], [ 0, 5.78186718, 0 ], [ 0, 0, 7.80619427 ] ]

-39.4242

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.011968, 0.007766 ], [ 0, 0.011968, -0.007766 ], [ 0, -0.011968, 0.007766 ], [ 0, -0.011968, -0.007766 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.002806

null

pbe

true

759546e62ccbe8f49f76c94cb17cb4bd_71_Dy1Er1B4

[ "Pt", "Th", "Tl" ]

7

A4B2C

Pt2Th4Tl

Pt2 Th4 Tl1

3

[ 1, 1, 1 ]

3

[ [ 5.00563676, 0, 0 ], [ 0, 5.00563676, 0 ], [ 0, 0, 7.786380459 ] ]

oqmd-6441779

[ [ 0, 0, 0 ], [ 2.50282, 2.50282, 3.89319 ], [ 2.50282, 0, 2.0886 ], [ 0, 2.50282, 2.0886 ], [ 2.50282, 0, 5.69778 ], [ 0, 2.50282, 5.69778 ], [ 2.50282, 2.50282, 0 ] ]

[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Pt", "Pt", "Th", "Th", "Th", "Th", "Tl" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.5714285714285714, 0.14285714285714285 ]

[ [ -0.01265823, 0, 0 ], [ 0, -0.01265823, 0 ], [ 0, 0, 1.57547367 ] ]

-47.1518

[ 0, 0, 0.003, 0.003, 0.003, 0.003, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.04557 ], [ 0, 0, 0.04557 ], [ 0, 0, -0.04557 ], [ 0, 0, -0.04557 ], [ 0, 0, 0 ] ]

0.024257

null

pbe

true

9bba2ade0f2f6e981c82a3672b248b42_123_Th4Tl1Pt2

[ "B", "Ir", "Sm" ]

6

A4BC

B4IrSm

B4 Ir1 Sm1

3

[ 1, 1, 1 ]

3

[ [ 3.278352088, 0, 0 ], [ -1.639176044, 2.839136191, 0 ], [ 0, 0, 6.841266353 ] ]

oqmd-8051644

[ [ 1.6391799999999994, 0.94638, 1.9829799999999995 ], [ -1.3511691778637322e-16, 1.89276, 1.9829799999999995 ], [ 1.6391799999999994, 0.94638, 4.85829 ], [ -1.3511691778637322e-16, 1.89276, 4.85829 ], [ 0, 0, 3.42063 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "B", "B", "B", "B", "Ir", "Sm" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 8.95517652, 0, 0 ], [ 0, 8.95517652, 0 ], [ 0, 0, 5.0577834 ] ]

-40.9894

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.000924 ], [ 0, 0, 0.000924 ], [ 0, 0, -0.000924 ], [ 0, 0, -0.000924 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.003433

null

pbe

true

2b0e30b41f40a711961d6a9fe0db263c_191_Sm1B4Ir1

[ "Ho", "N", "Rb" ]

6

A3B2C

HoN3Rb2

Ho1 N3 Rb2

3

[ 1, 1, 1 ]

3

[ [ 5.719651984, 0, 0 ], [ -2.859825992, 4.953363919, 0 ], [ 0, 0, 4.149496229 ] ]

oqmd-6363451

[ [ 0, 0, 2.07475 ], [ 2.8598299999999997, 0, 0 ], [ -1.4299118646821476, 2.47668, 0 ], [ 1.4299099999999998, 2.47668, 0 ], [ -3.6919940615046293e-16, 3.30224, 2.07423 ], [ 2.859829999999999, 1.65112, 2.07527 ] ]

[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Ho", "N", "N", "N", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 30.62761733, 0, 0 ], [ 0, 30.62761733, 0 ], [ 0, 0, 11.7701103 ] ]

-17.9882

[ 0.224, -0.37, -0.516, -0.361, -0.031, -0.031 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.003585 ], [ 0, 0, -0.003585 ] ]

-1.52192

null

pbe

true

cb2046ef386b5a52436b9f33d78387b9_191_Rb2Ho1N3

[ "Cs", "Ge", "S" ]

36

A4B4C

Cs4GeS4

Cs4 Ge1 S4

3

[ 1, 1, 1 ]

3

[ [ 6.959020165, -3.837811353, 0 ], [ 6.959020165, 3.837811353, 0 ], [ -4.223974622, 0, 26.444977119 ] ]

oqmd-5273610

[ [ 0, 0, 0 ], [ 4.608409999999998, -0.14341000000000056, 0.4721499999999989 ], [ 4.752809999999999, 2.3090000000000006, 4.189780000000011 ], [ 2.335130000000002, -1.0776600000000014, 4.412699999999998 ], [ 5.9030299999999984, -2.190960000000001, 6.611239999999996 ], [ 9.470920000000003, -1.077660000000001, 8.809790000000007 ], [ 7.053240000000003, 2.3089999999999997, 9.032709999999993 ], [ 7.197639999999999, -0.14340999999999637, 12.75034000000001 ], [ -2.1119875410866222, 0, 13.222490000000004 ], [ 2.4964299999999975, 0.14341000000000073, 13.69463000000001 ], [ 2.6408200000000024, -2.309, 17.41226999999999 ], [ 0.2231400000000006, 1.0776599999999994, 17.635179999999988 ], [ 3.7910399999999953, 2.1909600000000005, 19.83373 ], [ 7.358930000000001, 1.077660000000001, 22.03228000000001 ], [ 4.941250000000003, -2.3089999999999997, 22.2552 ], [ 5.085650000000002, 0.14340999999999668, 25.972829999999988 ], [ 7.658660000000002, -0.9224199999999988, 3.216709999999991 ], [ 4.14739, -0.9224200000000022, 10.005779999999984 ], [ 5.5466700000000015, 0.9224199999999986, 16.439199999999996 ], [ 2.035399999999998, 0.9224200000000023, 23.22826999999999 ], [ 9.184559999999996, -2.1495600000000024, 2.097030000000001 ], [ 7.338169999999997, 1.0583999999999991, 2.1868799999999995 ], [ 5.703980000000003, -2.0622000000000025, 3.22148999999999 ], [ 8.450449999999998, -0.5184599999999989, 5.296680000000011 ], [ 3.3556100000000004, -0.518459999999999, 7.925809999999994 ], [ 6.102069999999999, -2.0621999999999985, 10.000999999999989 ], [ 4.467890000000005, 1.0583999999999996, 11.035609999999988 ], [ 2.6214899999999997, -2.14956, 11.12546 ], [ 7.072580000000004, 2.1495599999999984, 15.319509999999994 ], [ 5.226180000000003, -1.0583999999999991, 15.409360000000008 ], [ 3.5919900000000013, 2.0622000000000025, 16.443979999999996 ], [ 6.3384599999999995, 0.5184600000000024, 18.519160000000003 ], [ 1.243619999999998, 0.5184599999999989, 21.1483 ], [ 3.990090000000005, 2.062199999999998, 23.223489999999995 ], [ 2.3559000000000028, -1.0583999999999991, 24.258099999999992 ], [ 0.5094999999999987, 2.14956, 24.347950000000004 ] ]

[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Cs", "Ge", "Ge", "Ge", "Ge", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.4444444444444444, 0.1111111111111111, 0.4444444444444444 ]

[ [ 3.82933966, 0, 0.27355644 ], [ 0, 2.82998958, 0 ], [ 0.27355644, 0, 3.26954568 ] ]

-135.249

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.008681, 0.002809, -0.001706 ], [ 0.018866, -0.000069, -0.020751 ], [ -0.014864, 0.0167, 0.003674 ], [ 0, 0.012523, 0 ], [ 0.014864, 0.0167, -0.003674 ], [ -0.018866, -0.000069, 0.020751 ], [ 0.008681, 0.002809, 0.001706 ], [ 0, 0, 0 ], [ -0.008681, -0.002809, -0.001706 ], [ 0.018866, 0.000069, -0.020751 ], [ -0.014864, -0.0167, 0.003674 ], [ 0, -0.012523, 0 ], [ 0.014864, -0.0167, -0.003674 ], [ -0.018866, 0.000069, 0.020751 ], [ 0.008681, -0.002809, 0.001706 ], [ 0.037125, -0.008426, -0.016997 ], [ -0.037125, -0.008426, 0.016997 ], [ 0.037125, 0.008426, -0.016997 ], [ -0.037125, 0.008426, 0.016997 ], [ -0.009599, 0.00231, 0.01078 ], [ 0.006047, 0.008648, -0.000251 ], [ -0.000269, 0.00438, 0.002579 ], [ 0.011885, 0.011287, 0.004134 ], [ -0.011885, 0.011287, -0.004134 ], [ 0.000269, 0.00438, -0.002579 ], [ -0.006047, 0.008648, 0.000251 ], [ 0.009599, 0.00231, -0.01078 ], [ -0.009599, -0.00231, 0.01078 ], [ 0.006047, -0.008648, -0.000251 ], [ -0.000269, -0.00438, 0.002579 ], [ 0.011885, -0.011287, 0.004134 ], [ -0.011885, -0.011287, -0.004134 ], [ 0.000269, -0.00438, -0.002579 ], [ -0.006047, -0.008648, 0.000251 ], [ 0.009599, -0.00231, -0.01078 ] ]

null

pbe

false

0b11ee402939e25d47b6a003965706fa_15_Cs16Ge4S16

[ "Er", "Se", "Si" ]

8

A4B3C

Er4Se3Si

Er4 Se3 Si1

3

[ 1, 1, 1 ]

3

[ [ -2.858766035, 2.858766035, 5.76081937 ], [ 2.858766035, -2.858766035, 5.76081937 ], [ 2.858766035, 2.858766035, -5.76081937 ] ]

oqmd-5475200

[ [ -2.8826387490508834e-17, 2.8826387490508834e-17, 2.76762 ], [ 3.8850892046822945e-17, -3.8850892046822945e-17, 8.754019999999995 ], [ -5.832961136493701e-17, 2.8587700000000007, 6.76875998412841e-17 ], [ 2.8587700000000007, -5.832961136493701e-17, 6.76875998412841e-17 ], [ 3.747627201449053e-17, -3.747627201449053e-17, 5.760820000000003 ], [ 1.637149935600943e-16, 2.8587700000000003, 2.8804100000000012 ], [ 2.8587700000000003, 1.637149935600943e-16, 2.8804100000000012 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Er", "Er", "Er", "Er", "Se", "Se", "Se", "Si" ]

2024-11-01 00:00:00

[ 0.5, 0.375, 0.125 ]

[ [ 2.5562434, 0, 0 ], [ 0, 2.5562434, 0 ], [ 0, 0, 2.79939023 ] ]

-46.5946

[ -0.001, -0.001, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.023747 ], [ 0, 0, 0.023747 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.017487

null

pbe

true

9f8f934f6c8db96588f2e85143a9962b_139_Er4Si1Se3

[ "Cu", "Ru", "W", "Zn" ]

4

ABCD

CuRuWZn

Cu1 Ru1 W1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.037101, 3.037101 ], [ 3.037101, 0, 3.037101 ], [ 3.037101, 3.037101, 0 ] ]

oqmd-2586874

[ [ 4.555649999999997, 4.555649999999997, 4.555649999999997 ], [ 1.5185499999999972, 1.5185499999999972, 1.5185499999999972 ], [ 3.0371, 3.0371, 3.0371 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Cu", "Ru", "W", "Zn" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 14.80356, 0, 0 ], [ 0, 14.80356, 0 ], [ 0, 0, 14.80356 ] ]

-26.4368

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.008169

null

pbe

false

42eb934a7bf5e852f6a177bc7e264299_216_Zn1Cu1Ru1W1

[ "Mg", "Rh", "Te" ]

14

A4B2C

MgRh2Te4

Mg1 Rh2 Te4

3

[ 1, 1, 1 ]

3

[ [ 0, 4.084250927, 4.084250927 ], [ 4.084250927, 0, 4.084250927 ], [ 4.084250927, 4.084250927, 0 ] ]

oqmd-9524690

[ [ 4.08425, 4.08425, 4.08425 ], [ 6.12638, 6.12638, 6.12638 ], [ 1.02106, 1.02106, 1.02106 ], [ 1.0210600000000003, 3.0631900000000005, 3.0631900000000005 ], [ 3.0631900000000005, 1.0210600000000003, 3.0631900000000005 ], [ 3.0631900000000005, 3.0631900000000005, 1.02106 ], [ 3.51877, 3.51877, 3.51877 ], [ 3.51877, 4.649730000000001, 4.649730000000001 ], [ 4.649730000000001, 3.51877, 4.64973 ], [ 5.5609, 5.5609, 6.691860000000001 ], [ 4.64973, 4.64973, 3.51877 ], [ 5.5609, 6.691860000000001, 5.5609 ], [ 6.691860000000001, 6.691860000000001, 6.691860000000001 ], [ 6.691860000000001, 5.5609, 5.5609 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Mg", "Mg", "Rh", "Rh", "Rh", "Rh", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ 1776.87146, 0, 0 ], [ 0, 1776.87146, 0 ], [ 0, 0, 1776.87146 ] ]

355.686

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -15.119459, -15.119459, -15.119459 ], [ -15.119459, 15.119459, 15.119459 ], [ 15.119459, -15.119459, 15.119459 ], [ -15.119459, -15.119459, 15.119459 ], [ 15.119459, 15.119459, -15.119459 ], [ -15.119459, 15.119459, -15.119459 ], [ 15.119459, 15.119459, 15.119459 ], [ 15.119459, -15.119459, -15.119459 ] ]

0.00018

null

pbe

false

7d286a06cd159fd6eb82957039cbf058_227_Mg2Te8Rh4

[ "Pm", "Rh", "Tl" ]

11

A5B4C2

Pm4Rh2Tl5

Pm4 Rh2 Tl5

3

[ 1, 1, 1 ]

3

[ [ 7.989458864, 0, 0 ], [ 0, 3.739259237, 0 ], [ -0.707428703, 0, 9.754721959 ] ]

oqmd-9596208

[ [ 6.23588, 1.86963, 0.6448499999999999 ], [ 1.23988, 1.86963, 3.3406899999999995 ], [ 6.042150000000001, 1.86963, 6.41404 ], [ 1.04615, 1.86963, 9.109870000000004 ], [ 0.52799, 0, 1.3325199999999997 ], [ 6.754039999999999, 0, 8.4222 ], [ 3.5122599999999995, 0, 1.61523 ], [ 6.47776, 0, 3.50214 ], [ 3.64102, 0, 4.87736 ], [ 0.80427, 0, 6.252579999999999 ], [ 3.76977, 0, 8.13949 ] ]

[{"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Pm", "Pm", "Pm", "Pm", "Rh", "Rh", "Tl", "Tl", "Tl", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.3636363636363637, 0.18181818181818185, 0.4545454545454546 ]

[ [ 11.76725101, 0, 0.54164712 ], [ 0, 7.62630011, 0 ], [ 0.54164712, 0, 9.49079466 ] ]

-50.5297

[ 0, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.047185, 0, 0.040355 ], [ -0.002527, 0, 0.050913 ], [ 0.002527, 0, -0.050913 ], [ 0.047185, 0, -0.040355 ], [ 0.005387, 0, 0.025951 ], [ -0.005387, 0, -0.025951 ], [ 0.003478, 0, 0.005393 ], [ 0.005407, 0, -0.009198 ], [ 0, 0, 0 ], [ -0.005407, 0, 0.009198 ], [ -0.003478, 0, -0.005393 ] ]

0.010286

null

pbe

false

8d5d75536c21977f7ce0add0930afcc1_10_Pm4Tl5Rh2

[ "Cl", "Dy", "N", "Pr" ]

10

A5B2C2D

Cl5Dy2NPr2

Cl5 Dy2 N1 Pr2

4

[ 1, 1, 1 ]

3

[ [ 8.56935927, -1.87949231, 0 ], [ 8.56935927, 1.87949231, 0 ], [ -1.904384151, 0, 7.907293972 ] ]

oqmd-9940959

[ [ 13.84574, -3.961050176155019e-17, 1.15353 ], [ 2.29125, 1.1668498214688236e-18, 2.55099 ], [ 7.617170000000001, 2.972411004381577e-17, 3.95365 ], [ 12.943079999999998, -8.849228056361234e-17, 5.35631 ], [ 1.3885899999999998, 1.1140982552724269e-17, 6.75377 ], [ 10.83307, 3.0287511880393386e-17, 0.59072 ], [ 4.401270000000001, 2.9160708207238143e-17, 7.316579999999999 ], [ 8.56936, -4.621366611046416e-17, 0 ], [ 16.71272, -7.015518591308618e-17, 1.66253 ], [ -1.47839, -7.317638495774604e-21, 6.24477 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]

[ "Cl", "Cl", "Cl", "Cl", "Cl", "Dy", "Dy", "N", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.5, 0.2, 0.1, 0.2 ]

[ [ 4.25861, 0, 0.20741 ], [ 0, 3.28827, 0 ], [ 0.20741, 0, 3.0187 ] ]

-54.9981

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.004024, 0, 0.04544 ], [ 0.006602, 0, 0.006892 ], [ 0, 0, 0 ], [ -0.006602, 0, -0.006892 ], [ 0.004024, 0, -0.04544 ], [ 0.063036, 0, -0.011403 ], [ -0.063036, 0, 0.011403 ], [ 0, 0, 0 ], [ -0.014154, 0, 0.041793 ], [ 0.014154, 0, -0.041793 ] ]

-0.001885

null

pbe

true

1b398b228ff2966c3227d65a583c021d_12_Pr2Dy2N1Cl5

[ "Co", "Cr", "Fe", "Si" ]

4

ABCD

CoCrFeSi

Co1 Cr1 Fe1 Si1

4

[ 1, 1, 1 ]

3

[ [ 0, 2.795392, 2.795392 ], [ 2.795392, 0, 2.795392 ], [ 2.795392, 2.795392, 0 ] ]

oqmd-2100133

[ [ 4.19309, 4.19309, 4.19309 ], [ 2.795399999999997, 2.795399999999997, 2.795399999999997 ], [ 1.397690000000002, 1.397690000000002, 1.397690000000002 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Co", "Cr", "Fe", "Si" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 24.32995, -0.04757, -0.04757 ], [ -0.04757, 24.32995, -0.04757 ], [ -0.04757, -0.04757, 24.32995 ] ]

-31.504

[ 1.032, 1.664, 0.339, -0.027 ]

[ [ -0.000174, -0.000174, -0.000174 ], [ -0.000025, -0.000025, -0.000025 ], [ 0.000096, 0.000096, 0.000096 ], [ 0.000104, 0.000104, 0.000104 ] ]

3.00649

null

pbe

false

bda161df9c7a3d381fac1736b585a10d_216_Cr1Fe1Co1Si1

[ "Cu", "F", "K", "Tc" ]

20

A6B2CD

CuF6K2Tc

Cu1 F6 K2 Tc1

4

[ 1, 1, 1 ]

3

[ [ 5.65862915, 0, 0 ], [ 0.002304621, 5.840620009, 0 ], [ 0.0012861, 0.011826148, 8.169226617 ] ]

oqmd-5773060

[ [ 0, 0, 0 ], [ 2.83111, 2.9262199999999994, 4.08461 ], [ 3.98646, 4.59266, 0.22411 ], [ 1.23524, 4.16305, 0.28818 ], [ 2.7161600000000004, 2.56483, 2.01061 ], [ 5.54187, 0.36044, 2.07352 ], [ 4.06478, 4.60449, 3.79826 ], [ 1.15678, 4.17369, 3.8590300000000006 ], [ 4.50544, 1.6787499999999995, 4.3102 ], [ 1.5974400000000002, 1.24795, 4.37096 ], [ 0.12035, 5.492009999999999, 6.09571 ], [ 2.94606, 3.28761, 6.15862 ], [ 4.42698, 1.68939, 7.88105 ], [ 1.67576, 1.25978, 7.94512 ], [ 5.434309999999999, 2.94902, 2.02641 ], [ 2.60615, 5.81652, 2.05826 ], [ 3.0560700000000005, 0.03593, 6.11096 ], [ 0.22791000000000003, 2.90343, 6.1428199999999995 ], [ 2.8304699999999996, 2.92031, 0 ], [ 0.0006430494791352903, 0.005913069210463304, 4.08461 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]

[ "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "K", "K", "K", "K", "Tc", "Tc" ]

2024-11-01 00:00:00

[ 0.1, 0.6, 0.2, 0.1 ]

[ [ 79.99993583, -0.05761094, -0.05119807 ], [ -0.05761094, 84.59535889, -0.81409742 ], [ -0.05119807, -0.81409742, 82.26761633 ] ]

-95.5537

[ 0.045, 0.045, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0.029, 0, 0, 0, 0, 1.647, 1.647 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.015299, -0.028492, -0.006893 ], [ 0.00495, 0.000229, -0.013439 ], [ -0.039029, 0.016546, -0.036479 ], [ -0.036686, -0.017258, 0.0424 ], [ 0.007601, -0.000607, 0.015467 ], [ -0.013575, 0.024944, 0.006543 ], [ 0.013575, -0.024944, -0.006543 ], [ -0.007601, 0.000607, -0.015467 ], [ 0.036686, 0.017258, -0.0424 ], [ 0.039029, -0.016546, 0.036479 ], [ -0.00495, -0.000229, 0.013439 ], [ 0.015299, 0.028492, 0.006893 ], [ 0.00728, -0.014787, 0.002543 ], [ 0.006597, 0.017122, -0.00469 ], [ -0.006597, -0.017122, 0.00469 ], [ -0.00728, 0.014787, -0.002543 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.99792

null

pbe

true

0cfa54bad008ac77faf1a4f6ec0d9197_14_K4Cu2Tc2F12

[ "Dy", "Mn", "Tl", "Tm" ]

5

A2BCD

DyMn2TlTm

Dy1 Mn2 Tl1 Tm1

4

[ 1, 1, 1 ]

3

[ [ 4.091085826, 0, 0 ], [ 0, 1.840752575, 6.858453164 ], [ 0, -1.840752575, 6.858453164 ] ]

oqmd-9341612

[ [ 0, -8.542557795221493e-17, 8.74117 ], [ 2.04554, -5.6676904109535e-18, 2.8967 ], [ 2.04554, 2.393524946534934e-18, 10.85334 ], [ 2.04554, -1.0464718303061587e-16, 13.70124 ], [ 0, 2.2263475985800172e-17, 4.95829 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Dy", "Mn", "Mn", "Tl", "Tm" ]

2024-11-01 00:00:00

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 22.9760501, 0, 0 ], [ 0, 6.00875957, 0 ], [ 0, 0, 6.58093133 ] ]

-29.8209

[ 0.006, 0.352, -0.083, -0.002, -0.007 ]

[ [ 0, 0, 0.067242 ], [ 0, 0, 0.011914 ], [ 0, 0, 0.019009 ], [ 0, 0, 0.000082 ], [ 0, 0, -0.098247 ] ]

0.278639

null

pbe

false

aa27bd4235d1c26dfcf373cdf616303a_38_Dy1Tm1Mn2Tl1

[ "Cs", "Sn" ]

12

A11B

CsSn11

Cs1 Sn11

2

[ 1, 1, 1 ]

3

[ [ 4.575879492, 2.641885257, 5.930679727 ], [ -4.575879492, 2.641885257, 5.930679727 ], [ 0, -5.283770513, 5.930679727 ] ]

oqmd-7666852

[ [ 5.318801520819237e-17, 1.9879195928539247e-16, 5.71837 ], [ 3.02969, 1.7491900000000005, 4.585800000000001 ], [ -3.02969, 1.749190000000001, 4.585800000000001 ], [ -2.4805760674908076e-17, -4.1478216601550697e-17, 1.44424 ], [ 6.04039219772513e-17, 2.425250000000001, 8.79987 ], [ 4.2282568273167153e-16, 2.2597200000000006, 13.132329999999998 ], [ -1.6182812132829506e-16, 4.150536807807826e-16, 10.801769999999998 ], [ 2.10033, -1.2126199999999991, 8.79987 ], [ -2.10033, -1.2126199999999991, 8.79987 ], [ -3.8792393793811016e-18, -3.4983799999999996, 4.585799999999999 ], [ 1.9569700000000003, -1.12986, 13.132329999999998 ], [ -1.95697, -1.1298599999999996, 13.132329999999998 ] ]

[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Cs", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.9166666666666666 ]

[ [ 1.22873347, 0, 0 ], [ 0, 1.22873347, 0 ], [ 0, 0, 4.76613599 ] ]

-44.6931

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.024754 ], [ 0.005818, 0.003359, 0.009489 ], [ -0.005818, 0.003359, 0.009489 ], [ 0, 0, 0.020802 ], [ 0, 0.026563, 0.000319 ], [ 0, 0.016209, -0.006092 ], [ 0, 0, -0.056704 ], [ 0.023004, -0.013282, 0.000319 ], [ -0.023004, -0.013282, 0.000319 ], [ 0, -0.006718, 0.009489 ], [ 0.014037, -0.008104, -0.006092 ], [ -0.014037, -0.008104, -0.006092 ] ]

null

pbe

false

7dc75feca029cf3340937356bb3a72f7_160_Cs1Sn11

[ "Li", "Te" ]

12

A2B

Li2Te

Li2 Te1

2

[ 1, 1, 1 ]

3

[ [ 8.096858086, 0, 0 ], [ 0, 4.230238661, 0 ], [ -4.405526083, 0, 7.222785927 ] ]

oqmd-5889517

[ [ 3.498, 3.18062, 0.90243 ], [ 0.33831000000000006, 3.19823, 1.45935 ], [ 5.555780000000001, 1.08311, 2.15205 ], [ 2.3960999999999997, 1.0655, 2.70897 ], [ 1.2952399999999995, 3.16474, 4.51382 ], [ -1.86445, 3.14713, 5.07074 ], [ 3.3530200000000003, 1.03201, 5.763440000000001 ], [ 0.1933300000000001, 1.04962, 6.320360000000001 ], [ 6.084860000000001, 3.16594, 0.00118 ], [ -0.19076000000000023, 1.05082, 3.61021 ], [ 3.8821, 3.17942, 3.61258 ], [ -2.39353, 1.0643, 7.2216 ] ]

[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 13.6183285, 0, 0.41619863 ], [ 0, 11.86423165, 0 ], [ 0.41619863, 0, 12.61712713 ] ]

-39.595

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.003959, 0.000862, 0.000059 ], [ 0.000528, -0.017757, -0.005445 ], [ -0.000528, -0.017757, 0.005445 ], [ 0.003959, 0.000862, -0.000059 ], [ -0.003959, -0.000862, 0.000059 ], [ 0.000528, 0.017757, -0.005445 ], [ -0.000528, 0.017757, 0.005445 ], [ 0.003959, -0.000862, -0.000059 ], [ 0.005251, 0.002551, 0.010075 ], [ -0.005251, 0.002551, -0.010075 ], [ 0.005251, -0.002551, 0.010075 ], [ -0.005251, -0.002551, -0.010075 ] ]

null

pbe

false

07ab8a49157a6ddfb37f71c780f5858e_14_Li8Te4

[ "Cu", "K", "N", "O" ]

8

ABCD

CuKNO

Cu1 K1 N1 O1

4

[ 1, 1, 1 ]

3

[ [ -1.664651, -2.88326, 0 ], [ 0, 0, 6.016547 ], [ -5.320036, 3.071524, 0 ] ]

oqmd-3684285

[ [ -1.8338300000000003, -0.863409999999998, 0.00262 ], [ -5.150870000000003, 1.051670000000001, 3.010900000000002 ], [ -1.3274677882706316, 0.7664138308274914, 3.026590000000001 ], [ -3.992569479678505, 2.305110901223232, 0.018320000000000003 ], [ -1.582260791340045, 0.9135186293588878, 6.0034600000000005 ], [ -3.737768976609029, 2.158001772565086, 2.9951900000000027 ], [ -0.8513400000000008, -1.4306500000000015, 1.5203399999999982 ], [ -6.13334, 1.618920000000001, 4.528610000000002 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Cu", "Cu", "K", "K", "N", "N", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 23.35408, -1.60204, 0 ], [ -1.60204, 21.5042, 0 ], [ 0, 0, 21.56635 ] ]

-31.75

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.002025, 0.001169, 0.008513 ], [ 0.002025, -0.001169, 0.008513 ], [ -0.012509, 0.007222, -0.010816 ], [ 0.012509, -0.007222, -0.010816 ], [ -0.029338, 0.016938, 0.020543 ], [ 0.029338, -0.016938, 0.020543 ], [ 0.009868, -0.005697, -0.018239 ], [ -0.009868, 0.005697, -0.018239 ] ]

null

pbe

false

2a18d999627aba3a7436397d81bd0dc6_26_K2Cu2N2O2

[ "Li", "Mn" ]

3

A2B

Li2Mn

Li2 Mn1

2

[ 1, 1, 1 ]

3

[ [ 1.322814335, 0.763727212, 6.945553829 ], [ -1.322814335, 0.763727212, 6.945553829 ], [ 0, -1.527454425, 6.945553829 ] ]

oqmd-7967330

[ [ -2.6586612932523326e-17, 7.661300924149063e-18, 4.72098 ], [ 3.972953525007531e-17, 1.1454403640011936e-16, 16.115680000000005 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]

[ "Li", "Li", "Mn" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 25.59866866, 0, 0 ], [ 0, 25.59866866, 0 ], [ 0, 0, 35.73194839 ] ]

-11.9668

[ -0.033, -0.033, 2.916 ]

[ [ 0, 0, -0.023832 ], [ 0, 0, 0.023832 ], [ 0, 0, 0 ] ]

2.91314

null

pbe

false

e95301acf761f2d78b22683630ad8aae_166_Li2Mn1

[ "Ag", "Eu", "In" ]

9

ABC

AgEuIn

Ag1 Eu1 In1

3

[ 1, 1, 1 ]

3

[ [ 7.912652871, 0, 0 ], [ -3.956326436, 6.852558398, 0 ], [ 0, 0, 4.241520831 ] ]

oqmd-5516414

[ [ 3.9563300000000017, 2.284189999999999, 0 ], [ -6.754584886361354e-16, 4.568369999999998, 0 ], [ 0, 0, 2.12076 ], [ 3.2478, 0, 2.12076 ], [ -1.623895781755308, 2.8126699999999976, 2.12076 ], [ 2.3324299999999982, 4.03988, 2.12076 ], [ 5.925389999999997, 0, 0 ], [ 0.9936300000000032, 1.721019999999997, 0 ], [ -2.9626960005648155, 5.13154, 0 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Ag", "Ag", "Ag", "Eu", "Eu", "Eu", "In", "In", "In" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.3779731, 0, 0 ], [ 0, 5.3779731, 0 ], [ 0, 0, 4.23722143 ] ]

-26.8472

[ 0, 0, 0, -0.002, -0.002, -0.002, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.005949, 0, 0 ], [ 0.002974, -0.005152, 0 ], [ 0.002974, 0.005152, 0 ], [ 0.007081, 0, 0 ], [ -0.00354, -0.006132, 0 ], [ -0.00354, 0.006132, 0 ] ]

-0.028026

null

pbe

false

e2a2ee19563d1759ed78fc069e4b4d80_189_Eu3In3Ag3

[ "Br", "N", "Pr" ]

12

A3B2C

Br3NPr2

Br3 N1 Pr2

3

[ 1, 1, 1 ]

3

[ [ 9.192319419, -2.047926091, 0 ], [ 9.192319419, 2.047926091, 0 ], [ -6.520369639, 0, 9.886696476 ] ]

oqmd-5649250

[ [ 12.190100000000005, 5.153928374588982e-17, 0.09178 ], [ -0.863730000000001, 4.371889878504114e-18, 2.434430000000001 ], [ 11.872119999999995, 8.880306963759673e-17, 3.757979999999998 ], [ -0.007850000000006616, 8.196171710470968e-18, 6.128720000000004 ], [ 12.727999999999993, 7.809571985040988e-17, 7.452259999999996 ], [ -0.3258299999999974, 3.6506374865840386e-17, 9.794920000000005 ], [ 5.56471000000001, 1.2702385122190564e-17, 3.432899999999995 ], [ 6.299560000000005, -3.3018596487552e-17, 6.4537999999999975 ], [ 14.480789999999995, 4.9773233695708746e-17, 2.113240000000003 ], [ 7.6536200000000045, -1.0739963453156748e-16, 4.524369999999996 ], [ 4.210649999999997, 3.981549208690801e-18, 5.362320000000001 ], [ -2.616519999999998, 1.8662999646036084e-17, 7.773450000000005 ] ]

[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]

[ "Br", "Br", "Br", "Br", "Br", "Br", "N", "N", "Pr", "Pr", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 4.00143724, 0, 0.1500361 ], [ 0, 3.80455766, 0 ], [ 0.1500361, 0, 4.62017083 ] ]

-67.2776

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.031143, 0, 0.011517 ], [ 0.032373, 0, -0.033002 ], [ -0.038963, 0, -0.014174 ], [ 0.038963, 0, 0.014174 ], [ -0.032373, 0, 0.033002 ], [ 0.031143, 0, -0.011517 ], [ -0.005522, 0, -0.012851 ], [ 0.005522, 0, 0.012851 ], [ -0.010831, 0, -0.029929 ], [ 0.053697, 0, -0.008873 ], [ -0.053697, 0, 0.008873 ], [ 0.010831, 0, 0.029929 ] ]

-0.005396

null

pbe

true

ca3d2f75c983b82a7b6e65e76355f6e4_12_Pr4Br6N2

[ "Co", "Ni" ]

13

A7B6

Co7Ni6

Co7 Ni6

2

[ 1, 1, 1 ]

3

[ [ 2.285036385, 1.319266372, 8.065798974 ], [ -2.285036385, 1.319266372, 8.065798974 ], [ 0, -2.638532744, 8.065798974 ] ]

oqmd-5984696

[ [ 0, 0, 0 ], [ 1.12754, 0.6509800000000001, 6.15789 ], [ -1.12754, 0.65098, 6.15789 ], [ -5.840296270236685e-17, 1.3019700000000003, 18.03951 ], [ 8.28979414358935e-18, -1.30197, 6.157889999999999 ], [ 1.1275399999999998, -0.6509799999999997, 18.039509999999996 ], [ -1.1275399999999995, -0.6509799999999999, 18.039509999999996 ], [ -5.464557590099686e-18, -1.2096264647065179e-17, 3.97753 ], [ 2.5440526757507578e-17, 5.3994584470185606e-17, 8.45191 ], [ 1.061290084146479e-16, 3.323009967367416e-17, 10.95633 ], [ 7.773530569308877e-17, 4.946769577877967e-18, 13.24107 ], [ -7.944351544894826e-17, 5.975889952558812e-17, 15.74549 ], [ -8.822688445845277e-17, 5.0273133898617306e-17, 20.21987 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni" ]

2024-11-01 00:00:00

[ 0.5384615384615384, 0.4615384615384616 ]

[ [ 38.39134795, 0, 0 ], [ 0, 38.39134795, 0 ], [ 0, 0, 32.29463211 ] ]

-81.352

[ 1.715, 1.544, 1.928, 1.629, 1.629, 1.928, 1.544, 0.582, 0.616, 0.7, 0.7, 0.616, 0.582 ]

[ [ 0, 0, 0 ], [ -0.020755, -0.011983, 0.032388 ], [ 0.020755, -0.011983, 0.032388 ], [ 0, -0.023966, -0.032388 ], [ 0, 0.023966, 0.032388 ], [ -0.020755, 0.011983, -0.032388 ], [ 0.020755, 0.011983, -0.032388 ], [ 0, 0, 0.019566 ], [ 0, 0, 0.066262 ], [ 0, 0, 0.071412 ], [ 0, 0, -0.071412 ], [ 0, 0, -0.066262 ], [ 0, 0, -0.019566 ] ]

15.5902

null

pbe

true

7d10ae832912ad8e2e06d9d5243073f5_166_Co7Ni6

[ "B", "Cd", "Pr" ]

6

A4BC

B4CdPr

B4 Cd1 Pr1

3

[ 1, 1, 1 ]

3

[ [ 3.222804226, 0, 0 ], [ -1.611402113, 2.791030331, 0 ], [ 0, 0, 8.112591175 ] ]

oqmd-8056286

[ [ 1.6113999999999995, 0.93034, 2.1222000000000003 ], [ 8.937624156642316e-17, 1.86069, 2.1222000000000003 ], [ 1.6113999999999995, 0.93034, 5.99039 ], [ 8.937624156642316e-17, 1.86069, 5.99039 ], [ 0, 0, 4.0563 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]

[ "B", "B", "B", "B", "Cd", "Pr" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 8.4538957, 0, 0 ], [ 0, 8.4538957, 0 ], [ 0, 0, 6.50025379 ] ]

-31.3484

[ 0, 0, 0, 0, 0, 0.001 ]

[ [ 0, 0, -0.016213 ], [ 0, 0, -0.016213 ], [ 0, 0, 0.016213 ], [ 0, 0, 0.016213 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.003286

null

pbe

true

625fe7291f1512e9b99631c79aebc79e_191_Pr1Cd1B4

[ "Ge", "Ir", "Tm" ]

38

A10B5C4

Ge10Ir4Tm5

Ge10 Ir4 Tm5

3

[ 1, 1, 1 ]

3

[ [ 12.978287475, 0, 0 ], [ 0, 12.978287475, 0 ], [ 0, 0, 4.291006943 ] ]

oqmd-9729856

[ [ 5.62104, 0.8681000000000001, 0 ], [ 10.38291, 2.13014, 0 ], [ 2.13014, 2.59538, 0 ], [ 8.61928, 3.89376, 0 ], [ 3.89376, 4.35901, 0 ], [ 12.11019, 5.62104, 0 ], [ 0.8681000000000001, 7.35725, 0 ], [ 9.08452, 8.61928, 0 ], [ 4.35901, 9.08452, 0 ], [ 10.84815, 10.38291, 0 ], [ 2.59538, 10.84815, 0 ], [ 7.35725, 12.11019, 0 ], [ 2.00715, 0.09268, 2.1455 ], [ 12.885610000000002, 2.00715, 2.1455 ], [ 6.39647, 4.48199, 2.1455 ], [ 8.49629, 6.39647, 2.1455 ], [ 4.48199, 6.58182, 2.1455 ], [ 6.58182, 8.49629, 2.1455 ], [ 0.09268, 10.97114, 2.1455 ], [ 10.97114, 12.885610000000002, 2.1455 ], [ 3.2008, 0.25541, 0 ], [ 12.72288, 3.2008, 0 ], [ 6.23374, 3.2883500000000003, 0 ], [ 9.68994, 6.23374, 0 ], [ 3.2883500000000003, 6.74455, 0 ], [ 6.74455, 9.68994, 0 ], [ 0.25541, 9.777490000000002, 0 ], [ 9.777490000000002, 12.72288, 0 ], [ 0, 0, 0 ], [ 6.48914, 6.48914, 0 ], [ 7.986080000000001, 1.4969400000000002, 2.1455 ], [ 4.24026, 2.24888, 2.1455 ], [ 10.72941, 4.24026, 2.1455 ], [ 1.4969400000000002, 4.99221, 2.1455 ], [ 11.48135, 7.986080000000001, 2.1455 ], [ 2.24888, 8.73803, 2.1455 ], [ 8.73803, 10.72941, 2.1455 ], [ 4.99221, 11.48135, 2.1455 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.5263157894736842, 0.21052631578947367, 0.2631578947368421 ]

[ [ 3.67861488, 0, 0 ], [ 0, 3.67861488, 0 ], [ 0, 0, 5.47914497 ] ]

-236.596

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0 ]

[ [ -0.00117, 0.00117, 0 ], [ -0.00515, -0.015507, 0 ], [ -0.015507, 0.00515, 0 ], [ -0.015507, -0.00515, 0 ], [ -0.00515, 0.015507, 0 ], [ -0.00117, -0.00117, 0 ], [ 0.00117, 0.00117, 0 ], [ 0.00515, -0.015507, 0 ], [ 0.015507, 0.00515, 0 ], [ 0.015507, -0.00515, 0 ], [ 0.00515, 0.015507, 0 ], [ 0.00117, -0.00117, 0 ], [ -0.005198, -0.018583, 0 ], [ 0.018583, -0.005198, 0 ], [ 0.018583, 0.005198, 0 ], [ -0.005198, 0.018583, 0 ], [ 0.005198, -0.018583, 0 ], [ -0.018583, -0.005198, 0 ], [ -0.018583, 0.005198, 0 ], [ 0.005198, 0.018583, 0 ], [ 0.003594, -0.014086, 0 ], [ 0.014086, 0.003594, 0 ], [ 0.014086, -0.003594, 0 ], [ 0.003594, 0.014086, 0 ], [ -0.003594, -0.014086, 0 ], [ -0.014086, 0.003594, 0 ], [ -0.014086, -0.003594, 0 ], [ -0.003594, 0.014086, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.006467, 0.006467, 0 ], [ 0.011887, -0.011887, 0 ], [ 0.011887, 0.011887, 0 ], [ 0.006467, -0.006467, 0 ], [ -0.006467, 0.006467, 0 ], [ -0.011887, -0.011887, 0 ], [ -0.011887, 0.011887, 0 ], [ -0.006467, -0.006467, 0 ] ]

0.005873

null

pbe

true

3b3e7344d8be085f665674f874146a1b_127_Tm10Ge20Ir8

[ "Np", "Pa", "Pb" ]

3

ABC

NpPaPb

Np1 Pa1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.460992299, 3.460992299 ], [ 3.460992299, 0, 3.460992299 ], [ 3.460992299, 3.460992299, 0 ] ]

oqmd-5614457

[ [ 0, 0, 0 ], [ 1.7305000000000004, 1.7305000000000004, 1.7305000000000004 ], [ 5.19149, 5.19149, 5.1914900000000035 ] ]

[{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Np", "Pa", "Pb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 64.8627306, 0, 0 ], [ 0, 64.8627306, 0 ], [ 0, 0, 64.8627306 ] ]

-23.6233

[ 4.707, 2.101, -0.026 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.57787

null

pbe

true

bb379a7622505abe01dfc7df52de136e_216_Np1Pa1Pb1

[ "Au", "C", "Ge", "Mn" ]

8

A4B2CD

AuC2GeMn4

Au1 C2 Ge1 Mn4

4

[ 1, 1, 1 ]

3

[ [ 2.95647424, 0, 0 ], [ -1.47823712, 2.560381797, 0 ], [ 0, 0, 12.311484561 ] ]

oqmd-8948175

[ [ 0, 0, 0 ], [ 2.793820192365972e-17, 1.7069199999999998, 3.19718 ], [ 2.793820192365972e-17, 1.7069199999999998, 9.1143 ], [ 1.4782400000000004, 0.8534599999999999, 6.15574 ], [ 1.4782400000000004, 0.8534599999999999, 2.22001 ], [ 0, 0, 4.24097 ], [ 0, 0, 8.07051 ], [ 1.4782400000000004, 0.8534599999999999, 10.09147 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]

[ "Au", "C", "C", "Ge", "Mn", "Mn", "Mn", "Mn" ]

2024-11-01 00:00:00

[ 0.125, 0.25, 0.125, 0.5 ]

[ [ 10.90104379, 0, 0 ], [ 0, 10.90104379, 0 ], [ 0, 0, 8.7198987 ] ]

-62.8804

[ 0.09, -0.166, -0.167, -0.069, 2.471, 2.047, 2.045, 2.478 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.005198 ], [ 0, 0, 0.005198 ], [ 0, 0, 0 ], [ 0, 0, 0.001289 ], [ 0, 0, 0.001687 ], [ 0, 0, -0.001687 ], [ 0, 0, -0.001289 ] ]

8.76507

null

pbe

false

d26c93f3b5a57316093cbda5409bcc52_187_Mn4Ge1Au1C2

[ "Eu", "Fe", "Rb", "Se" ]

12

A3BCD

EuFeRbSe3

Eu1 Fe1 Rb1 Se3

4

[ 1, 1, 1 ]

3

[ [ 11.616439, 0, 0 ], [ 0, 2.123218, 7.617798 ], [ 0, -2.123218, 7.617798 ] ]

oqmd-4647765

[ [ 2.9041099999999975, 0, 0 ], [ 8.712330000000003, 0, 0 ], [ 0, 5.1269726665211556e-17, 6.968599999999998 ], [ 5.808219999999995, 4.9339780998442186e-17, 8.266999999999998 ], [ 5.808219999999995, -1.2723309795400156e-17, 4.016820000000003 ], [ 0, -2.946724091969306e-18, 11.218780000000008 ], [ 0, -6.336268143483393e-18, 0.7688899999999996 ], [ 1.9526700000000048, 1.361713616773168e-17, 5.6641699999999995 ], [ 9.663769999999996, 1.361713616773168e-17, 5.6641699999999995 ], [ 3.855540000000001, -1.718995793418046e-17, 9.571429999999994 ], [ 7.7609, -1.718995793418046e-17, 9.571429999999994 ], [ 5.808219999999995, 6.071232818124966e-17, 14.466710000000008 ] ]

[{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Eu", "Eu", "Fe", "Fe", "Rb", "Rb", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 3.75629, 0, 0 ], [ 0, 4.32718, 0 ], [ 0, 0, 3.80017 ] ]

-56.6452

[ 0.08, 0.08, 3.495, 3.496, 0.008, 0.008, 0.198, 0.241, 0.241, 0.241, 0.241, 0.198 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.004577 ], [ 0, 0, -0.004577 ], [ 0, 0, -0.03766 ], [ 0, 0, 0.03766 ], [ 0, 0, -0.022413 ], [ -0.029527, 0, 0.041239 ], [ 0.029527, 0, 0.041239 ], [ 0.029527, 0, -0.041239 ], [ -0.029527, 0, -0.041239 ], [ 0, 0, 0.022413 ] ]

9.99308

null

pbe

false

2c2f69438e8fc51920e29b48ca8028bb_63_Rb2Eu2Fe2Se6

[ "Hf", "O", "P", "Pa" ]

8

ABCD

HfOPPa

Hf1 O1 P1 Pa1

4

[ 1, 1, 1 ]

3

[ [ 4.169727381, 0, 0 ], [ 0, 4.169727381, 0 ], [ 0, 0, 7.974076833 ] ]

oqmd-9667970

[ [ 0, 2.08486, 0.7892199999999998 ], [ 2.08486, 0, 7.184859999999998 ], [ 0, 0, 0 ], [ 2.08486, 2.08486, 0 ], [ 2.08486, 0, 2.02851 ], [ 0, 2.08486, 5.94557 ], [ 0, 0, 3.98704 ], [ 2.08486, 2.08486, 3.98704 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]

[ "Hf", "Hf", "O", "O", "P", "P", "Pa", "Pa" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 13.36173259, 0, 0 ], [ 0, 13.36173259, 0 ], [ 0, 0, 10.9428751 ] ]

-66.4618

[ 0.029, 0.029, 0.002, 0.002, -0.006, -0.006, 0.375, 0.374 ]

[ [ 0, 0, -0.008203 ], [ 0, 0, 0.008203 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.009281 ], [ 0, 0, -0.009281 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.977599

null

pbe

true

9b6e913229853f6bca8ab671295be74d_129_Hf2Pa2P2O2

[ "C", "Nd", "Sb", "Sc" ]

8

A4B2CD

C2NdSbSc4

C2 Nd1 Sb1 Sc4

4

[ 1, 1, 1 ]

3

[ [ 3.392645836, 0, 0 ], [ -1.696322918, 2.93811748, 0 ], [ 0, 0, 16.044414057 ] ]

oqmd-9207655

[ [ 1.69632, 0.97937, 3.60419 ], [ 1.69632, 0.97937, 12.44023 ], [ 0, 0, 8.02221 ], [ -2.0548571286381286e-16, 1.9587399999999997, 0 ], [ 0, 0, 2.40308 ], [ -2.0548571286381286e-16, 1.9587399999999997, 4.82395 ], [ -2.0548571286381286e-16, 1.9587399999999997, 11.22047 ], [ 0, 0, 13.64134 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "C", "C", "Nd", "Sb", "Sc", "Sc", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.125, 0.5 ]

[ [ 3.08905828, 0, 0 ], [ 0, 3.08905828, 0 ], [ 0, 0, 2.79545525 ] ]

-56.7099

[ 0.001, 0.002, 0.177, -0.002, 0, 0.044, 0.047, 0.002 ]

[ [ 0, 0, 0.002249 ], [ 0, 0, -0.002249 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.007383 ], [ 0, 0, -0.033735 ], [ 0, 0, 0.033735 ], [ 0, 0, -0.007383 ] ]

0.535693

null

pbe

true

36e48ba58bd4d63ccb0ad25574999623_187_Nd1Sc4Sb1C2

[ "Mg", "Pb" ]

12

AB

MgPb

Mg1 Pb1

2

[ 1, 1, 1 ]

3

[ [ 8.922079, -1.659832, 0 ], [ 0.004072, 6.661326, 0 ], [ 0, 0, 5.402931 ] ]

oqmd-2505745

[ [ 0.03134000000000002, -0.002250000000000007, 0 ], [ 0.04475000000000001, 3.3381500000000015, 0 ], [ 2.8996799999999965, 5.0113499999999975, 0 ], [ 1.9515399999999985, 0.003610000000000368, 2.701460000000001 ], [ 8.009240000000004, -0.008460000000001114, 2.701460000000001 ], [ 1.9420500000000016, 3.3244699999999976, 2.701460000000001 ], [ 6.231110000000001, 0.012240000000001356, 0 ], [ 2.654940000000001, 1.666910000000002, 0 ], [ 6.0705500000000026, 3.376470000000001, 0 ], [ 4.837810000000002, 1.6259099999999986, 2.701460000000001 ], [ 8.254290000000003, 3.3360800000000004, 2.701460000000001 ], [ 4.677720000000004, 4.99023, 2.701460000000001 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 9.26791, 0.31398, 0 ], [ 0.31398, 5.44267, 0 ], [ 0, 0, 4.60065 ] ]

-31.5541

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.009833, 0.005897, 0 ], [ 0.003727, 0.000952, 0 ], [ -0.001687, -0.00049, 0 ], [ -0.006883, -0.004609, 0 ], [ 0.005019, 0.00203, 0 ], [ -0.000705, 0.000586, 0 ], [ 0.009954, 0.00331, 0 ], [ -0.003202, 0.012042, 0 ], [ 0.028003, 0.007961, 0 ], [ -0.034122, -0.010231, 0 ], [ -0.001056, -0.00907, 0 ], [ -0.008881, -0.008378, 0 ] ]

null

pbe

false

66461bd4df929ab0b98222e2b41e806a_11_Mg6Pb6

[ "Co", "Dy", "Gd", "Ge" ]

6

A2B2CD

Co2DyGdGe2

Co2 Dy1 Gd1 Ge2

4

[ 1, 1, 1 ]

3

[ [ 4.077199277, 0, 0 ], [ 0, 4.077199277, 0 ], [ 0, 0, 6.626565455 ] ]

oqmd-9368913

[ [ 2.0386, 0, 0.007570000000000001 ], [ 0, 2.0386, 0.007570000000000001 ], [ 0, 0, 2.05167 ], [ 2.0386, 2.0386, 4.5415 ], [ 2.0386, 2.0386, 1.33603 ], [ 0, 0, 5.308799999999999 ] ]

[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}]

[ "Co", "Co", "Dy", "Gd", "Ge", "Ge" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]

[ [ 4.82887193, 0, 0 ], [ 0, 4.82887193, 0 ], [ 0, 0, -0.21901858 ] ]

-36.6315

[ 0.336, 0.335, -0.021, -0.017, -0.008, -0.007 ]

[ [ 0, 0, 0.001669 ], [ 0, 0, 0.001669 ], [ 0, 0, -0.012662 ], [ 0, 0, 0.036247 ], [ 0, 0, -0.018568 ], [ 0, 0, -0.008355 ] ]

0.596777

null

pbe

true

78c80f51790a357b8b071732a7623bc3_99_Gd1Dy1Co2Ge2

[ "Cu", "Re", "S", "Sr" ]

20

A6B2CD

CuReS6Sr2

Cu1 Re1 S6 Sr2

4

[ 1, 1, 1 ]

3

[ [ 6.705911203, 0, 0 ], [ 0, 6.690773792, 0 ], [ -6.616484607, 0, 9.265947458 ] ]

oqmd-7977542

[ [ 0, 3.34539, 0 ], [ -3.3082396407532917, 0, 4.63297 ], [ 3.3529600000000004, 0, 0 ], [ 0.04470999999999994, 3.34539, 4.63297 ], [ 2.0135999999999994, 4.743469999999999, 0.37321 ], [ 1.46361, 1.3828299999999998, 0.386 ], [ 3.90404, 0.04109, 2.29399 ], [ -0.5063699999999999, 3.38648, 2.33898 ], [ 1.93406, 4.72822, 4.246970000000001 ], [ 1.38407, 1.3980799999999998, 4.25977 ], [ -1.2946400000000002, 5.29269, 5.00618 ], [ -1.8446400000000005, 1.96256, 5.018980000000001 ], [ 0.5958000000000004, 3.3043, 6.926970000000001 ], [ -3.81461, 6.649679999999998, 6.97195 ], [ -1.3741799999999995, 5.30794, 8.87994 ], [ -1.92418, 1.9473, 8.89274 ], [ 0.0962900000000002, 6.296929999999999, 2.29237 ], [ 3.3013800000000004, 2.9515399999999996, 2.3406 ], [ -3.21195, 3.73923, 6.92535 ], [ -0.006860000000000072, 0.3938400000000001, 6.9735700000000005 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Cu", "Cu", "Re", "Re", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "Sr", "Sr", "Sr", "Sr" ]

2024-11-01 00:00:00

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 19.04856073, 0, -0.24061348 ], [ 0, 19.41947073, 0 ], [ -0.24061348, 0, 15.96790159 ] ]

-104.181

[ -0.01, -0.012, 0.184, 0.195, -0.008, -0.003, -0.005, -0.004, -0.001, -0.01, -0.01, -0.001, -0.004, -0.005, -0.003, -0.008, 0.001, 0.001, 0.001, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.045587, -0.071216, 0.003764 ], [ -0.137163, -0.053343, 0.095778 ], [ 0.092888, -0.075606, 0.088865 ], [ -0.092888, -0.075606, -0.088865 ], [ 0.137163, -0.053343, -0.095778 ], [ -0.045587, -0.071216, -0.003764 ], [ 0.045587, 0.071216, 0.003764 ], [ -0.137163, 0.053343, 0.095778 ], [ 0.092888, 0.075606, 0.088865 ], [ -0.092888, 0.075606, -0.088865 ], [ 0.137163, 0.053343, -0.095778 ], [ -0.045587, 0.071216, -0.003764 ], [ 0.059703, -0.144256, -0.046424 ], [ -0.059703, -0.144256, 0.046424 ], [ 0.059703, 0.144256, -0.046424 ], [ -0.059703, 0.144256, 0.046424 ] ]

0.358847

null

pbe

true

129317b5622de6ff20a0714445218877_14_Sr4Cu2Re2S12

[ "Nd", "O", "W", "Zn" ]

10

A6B2CD

Nd2O6WZn

Nd2 O6 W1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 4.903947404, -2.742392549, 0 ], [ 4.903947404, 2.742392549, 0 ], [ -3.310163568, 0, 4.659550939 ] ]

oqmd-8871314

[ [ 6.462549999999999, -8.814906014573479e-17, 1.24571 ], [ 0.035180000000000315, -3.1466384738573425e-18, 3.41384 ], [ 1.92723, 1.9198625997277116e-17, 0.60755 ], [ 4.4894, -1.39532, 1.47411 ], [ 4.4894, 1.39532, 1.47411 ], [ 2.0083300000000004, -1.39532, 3.1854399999999994 ], [ 2.0083300000000004, 1.39532, 3.1854399999999994 ], [ 4.570500000000001, -1.5170538967736723e-16, 4.052 ], [ 0, 0, 0 ], [ 3.2488699999999997, -8.461766348956664e-17, 2.32978 ] ]

[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Nd", "Nd", "O", "O", "O", "O", "O", "O", "W", "Zn" ]

2024-11-01 00:00:00

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 47.6430066, 0, -0.10207655 ], [ 0, 37.24720749, 0 ], [ -0.10207655, 0, 53.4235115 ] ]

-77.5987

[ 0.052, 0.052, 0.024, 0.028, 0.036, 0.036, 0.028, 0.024, 1.369, 0.017 ]

[ [ -0.044326, 0, -0.021652 ], [ 0.044326, 0, 0.021652 ], [ 0.00737, 0, 0.001847 ], [ -0.009142, -0.020097, 0.005026 ], [ -0.009142, 0.020097, 0.005026 ], [ 0.009142, -0.020097, -0.005026 ], [ 0.009142, 0.020097, -0.005026 ], [ -0.00737, 0, -0.001847 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.99955

null

pbe

false

f8bbc81135f09e12d7c2d93d886ea998_12_Nd2Zn1W1O6

[ "La", "Tl", "Zn" ]

3

ABC

LaTlZn

La1 Tl1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.643543, 3.643543 ], [ 3.643543, 0, 3.643543 ], [ 3.643543, 3.643543, 0 ] ]

oqmd-3127833

[ [ 0, 0, 0 ], [ 1.821769999999999, 1.821769999999999, 1.821769999999999 ], [ 5.465309999999997, 5.465309999999997, 5.465309999999997 ] ]

[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "La", "Tl", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.20488, 0, 0 ], [ 0, 3.20488, 0 ], [ 0, 0, 3.20488 ] ]

-8.35781

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.002993

null

pbe

true

59e1c97dee14c0d3e269b0bc71103062_216_La1Tl1Zn1

[ "Ce", "Cu", "Ge" ]

8

A4B3C

Ce4Cu3Ge

Ce4 Cu3 Ge1

3

[ 1, 1, 1 ]

3

[ [ 6.025597979, 0, 0 ], [ 0, 4.406848452, 0 ], [ -0.019211617, 0, 7.714894861 ] ]

oqmd-6897095

[ [ 5.19399, 2.20342, 1.37553 ], [ 2.1937900000000004, 0, 2.44802 ], [ 3.77372, 2.20342, 5.16533 ], [ 0.7556600000000001, 0, 6.40796 ], [ 2.34548, 2.20342, 0.23674 ], [ 5.313960000000001, 0, 3.5967599999999997 ], [ 3.689210000000001, 0, 7.45607 ], [ 0.7597600000000001, 2.20342, 4.17318 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}]

[ "Ce", "Ce", "Ce", "Ce", "Cu", "Cu", "Cu", "Ge" ]

2024-11-01 00:00:00

[ 0.5, 0.375, 0.125 ]

[ [ -1.03553743, 0, 0.15002912 ], [ 0, -2.17019339, 0 ], [ 0.15002912, 0, 0.65726832 ] ]

-37.2484

[ 0.033, 0.008, 0.014, 0.033, 0.003, 0.003, 0.005, 0.001 ]

[ [ -0.002928, 0, 0.025671 ], [ -0.014593, 0, -0.01021 ], [ -0.005629, 0, 0.002326 ], [ -0.003263, 0, -0.003402 ], [ 0.009799, 0, -0.019911 ], [ -0.000192, 0, 0.020335 ], [ -0.004358, 0, -0.001686 ], [ 0.021165, 0, -0.013124 ] ]

0.246413

null

pbe

false

c6e6f9359d20fd72080404ce4fef55d9_6_Ce4Cu3Ge1

[ "Cr", "Ni", "Pt" ]

4

A2BC

CrNiPt2

Cr1 Ni1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 3.85746427, 0, 0 ], [ 0, 3.85746427, 0 ], [ 0, 0, 3.719580908 ] ]

oqmd-5318618

[ [ 0, 0, 0 ], [ 1.92873, 1.92873, 0 ], [ 1.92873, 0, 1.8597899999999985 ], [ 0, 1.92873, 1.8597899999999985 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Cr", "Ni", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ -22.54242551, 0, 0 ], [ 0, -22.54242551, 0 ], [ 0, 0, -19.36395987 ] ]

-28.0741

[ 2.644, -0.001, -0.032, -0.026 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.6733

null

pbe

false

7f15a1094c3234100f94b33e2988413b_123_Cr1Ni1Pt2

[ "Cr", "Ru", "Si" ]

9

ABC

CrRuSi

Cr1 Ru1 Si1

3

[ 1, 1, 1 ]

3

[ [ 6.337588783, 0, 0 ], [ -3.168794391, 5.488512884, 0 ], [ 0, 0, 3.700885944 ] ]

oqmd-5917969

[ [ 3.84951, 0, 0 ], [ 1.2440399999999998, 2.15474, 0 ], [ -1.9247587804019048, 3.3337800000000004, 0 ], [ 0, 0, 0 ], [ 3.16879, 1.8295, 1.85044 ], [ 1.3909679934758555e-16, 3.65901, 1.85044 ], [ 1.6516500000000005, 0, 1.85044 ], [ -0.8258245045334341, 1.43037, 1.85044 ], [ 2.34297, 4.05814, 1.85044 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Cr", "Cr", "Cr", "Ru", "Ru", "Ru", "Si", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 8.32630708, 0, 0 ], [ 0, 8.32630708, 0 ], [ 0, 0, 2.20981108 ] ]

-72.4195

[ 2.619, 2.617, 2.674, -0.36, -0.13, -0.131, -0.043, -0.047, -0.044 ]

[ [ 0.04474, 0, 0 ], [ -0.02237, -0.038746, 0 ], [ -0.02237, 0.038746, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.019553, 0, 0 ], [ -0.009777, 0.016933, 0 ], [ -0.009777, -0.016933, 0 ] ]

7.41568

null

pbe

false

df6ee58f3cb756de768be6c74cf68e0e_189_Cr3Si3Ru3

[ "Mg", "Ni", "Si" ]

6

A3B2C

MgNi3Si2

Mg1 Ni3 Si2

3

[ 1, 1, 1 ]

3

[ [ 3.920825883, 0, 0 ], [ 0, 3.920825883, 0 ], [ 0, 0, 5.521745854 ] ]

oqmd-6545479

[ [ 1.96041, 1.96041, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.76087 ], [ 1.96041, 1.96041, 2.76087 ], [ 1.96041, 0, 1.59467 ], [ 0, 1.96041, 3.92708 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Mg", "Ni", "Ni", "Ni", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 21.09156336, 0, 0 ], [ 0, 21.09156336, 0 ], [ 0, 0, 13.77513605 ] ]

-30.3416

[ 0, 0.001, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.016878 ], [ 0, 0, -0.016878 ] ]

-0.000152

null

pbe

true

6200ec0a39e7552cac368eca31bd295c_115_Mg1Si2Ni3

[ "Mo", "Os", "Ta" ]

16

A2BC

MoOsTa2

Mo1 Os1 Ta2

3

[ 1, 1, 1 ]

3

[ [ 6.484442, 0, 0 ], [ 0, 8.242834, 0 ], [ 0, 0, 5.05988 ] ]

oqmd-3054370

[ [ 4.8621300000000005, 2.0607099999999963, 0.0008900000000000007 ], [ 1.619900000000003, 6.1821199999999985, 2.5290499999999976 ], [ 4.864529999999999, 2.0607099999999963, 2.530830000000002 ], [ 1.6223199999999969, 6.1821199999999985, 5.058989999999998 ], [ 5.799399999999998, 6.1821199999999985, 1.2624799999999985 ], [ 2.5571699999999997, 2.0607099999999963, 1.2674600000000014 ], [ 3.927270000000001, 6.1821199999999985, 3.792419999999998 ], [ 0.6850400000000028, 2.0607099999999963, 3.7974000000000014 ], [ 3.824699999999999, 4.5767700000000024, 1.2643700000000002 ], [ 3.824699999999999, 7.78748, 1.2643700000000002 ], [ 0.5824800000000002, 0.4553500000000002, 1.2655699999999996 ], [ 0.5824800000000002, 3.66606, 1.2655699999999996 ], [ 5.901960000000001, 4.5767700000000024, 3.79431 ], [ 5.901960000000001, 7.78748, 3.79431 ], [ 2.6597499999999985, 0.4553500000000002, 3.79551 ], [ 2.6597499999999985, 3.66606, 3.79551 ] ]

[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]

[ "Mo", "Mo", "Mo", "Mo", "Os", "Os", "Os", "Os", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 69.73021, 0, 0 ], [ 0, 40.4602, 0 ], [ 0, 0, 7.71492 ] ]

-184.794

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.011068, 0, -0.001533 ], [ 0.011068, 0, 0.001533 ], [ -0.011068, 0, -0.001533 ], [ -0.011068, 0, 0.001533 ], [ -0.02168, 0, 0.009685 ], [ -0.02168, 0, -0.009685 ], [ 0.02168, 0, 0.009685 ], [ 0.02168, 0, -0.009685 ], [ -0.0122, -0.016137, 0.00553 ], [ -0.0122, 0.016137, 0.00553 ], [ -0.0122, -0.016137, -0.00553 ], [ -0.0122, 0.016137, -0.00553 ], [ 0.0122, -0.016137, 0.00553 ], [ 0.0122, 0.016137, 0.00553 ], [ 0.0122, -0.016137, -0.00553 ], [ 0.0122, 0.016137, -0.00553 ] ]

-0.003829

null

pbe

true

ea8473162968500da1c76fbe29078b11_63_Ta8Mo4Os4

[ "As", "Eu", "O", "Pa" ]

8

ABCD

AsEuOPa

As1 Eu1 O1 Pa1

4

[ 1, 1, 1 ]

3

[ [ 4.14563505, 0, 0 ], [ 0, 4.14563505, 0 ], [ 0, 0, 9.598343504 ] ]

oqmd-7089850

[ [ 0, 2.07282, 2.6210900000000006 ], [ 2.07282, 0, 6.977250000000001 ], [ 0, 0, 4.79917 ], [ 2.07282, 2.07282, 4.79917 ], [ 0, 0, 0 ], [ 2.07282, 2.07282, 0 ], [ 2.07282, 0, 1.25628 ], [ 0, 2.07282, 8.34206 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}]

[ "As", "As", "Eu", "Eu", "O", "O", "Pa", "Pa" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 10.45113888, 0, 0 ], [ 0, 10.45113888, 0 ], [ 0, 0, 11.82231296 ] ]

-52.5892

[ -0.014, -0.014, 0.34, 0.34, -0.018, -0.018, 1.13, 1.13 ]

[ [ 0, 0, 0.012786 ], [ 0, 0, -0.012786 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.118503 ], [ 0, 0, -0.118503 ] ]

3.16899

null

pbe

false

2590106a66dd34a72f142bf6c792f0e9_129_Eu2Pa2As2O2

[ "Br", "Cl", "Dy", "H" ]

8

ABCD

BrClDyH

Br1 Cl1 Dy1 H1

4

[ 1, 1, 1 ]

3

[ [ 3.783730809, 0, 0 ], [ -1.891865405, 3.276807002, 0 ], [ 0, 0, 14.500732012 ] ]

oqmd-6756009

[ [ 6.443789799905583e-17, 2.18454, 5.49588 ], [ 1.89187, 1.09227, 9.00485 ], [ 6.443789799905583e-17, 2.18454, 1.8326 ], [ 1.89187, 1.09227, 12.66813 ], [ 0, 0, 3.5612699999999995 ], [ 0, 0, 10.93946 ], [ 1.89187, 1.09227, 3.5850299999999997 ], [ 6.443789799905583e-17, 2.18454, 10.9157 ] ]

[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}]

[ "Br", "Br", "Cl", "Cl", "Dy", "Dy", "H", "H" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 6.32379422, 0, 0 ], [ 0, 6.32379422, 0 ], [ 0, 0, 5.02218746 ] ]

-36.1645

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.01866 ], [ 0, 0, -0.01866 ], [ 0, 0, -0.043582 ], [ 0, 0, 0.043582 ], [ 0, 0, -0.021635 ], [ 0, 0, 0.021635 ], [ 0, 0, -0.000138 ], [ 0, 0, 0.000138 ] ]

0.000549

null

pbe

true

13f715a6bd93871444566245438acf99_164_Dy2H2Br2Cl2

[ "Au", "Co", "Nb", "Tl" ]

4

ABCD

AuCoNbTl

Au1 Co1 Nb1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.262984, 3.262984 ], [ 3.262984, 0, 3.262984 ], [ 3.262984, 3.262984, 0 ] ]

oqmd-2479278

[ [ 3.2629800000000024, 3.2629800000000024, 3.2629800000000024 ], [ 4.89447, 4.89447, 4.89447 ], [ 1.631489999999998, 1.631489999999998, 1.631489999999998 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Au", "Co", "Nb", "Tl" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -12.38541, 0, 0 ], [ 0, -12.38541, 0 ], [ 0, 0, -12.38541 ] ]

-21.3028

[ 0.028, -1.013, 0.296, 0.023 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.561257

null

pbe

true

cd6d0a6ecd1624f76065892e5afad9f7_216_Nb1Tl1Co1Au1

[ "Ag", "Co", "Rb", "S", "Te" ]

12

A2BCDE

AgCoRbS2Te

Ag1 Co1 Rb1 S2 Te1

5

[ 1, 1, 1 ]

3

[ [ 1.739702644, -8.3029212, 0 ], [ 1.739702644, 8.3029212, 0 ], [ 0, 0, 10.160448887 ] ]

oqmd-7438085

[ [ 1.7397, 1.2756100000000004, 2.54011 ], [ 1.7397, -1.2756100000000004, 7.62034 ], [ 0, 0, 0 ], [ 0, 0, 5.08022 ], [ 1.7397, -4.145580000000001, 2.54011 ], [ 1.7397, 4.14558, 7.62034 ], [ 1.7397, 1.5267999999999995, 0.15296 ], [ 1.7397, 1.5267999999999995, 4.92726 ], [ 1.7397, -1.5268, 5.23319 ], [ 1.7397, -1.5268, 10.00748 ], [ 1.7397, 7.27788, 2.54011 ], [ 1.7396999999999998, -7.27788, 7.62034 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ag", "Ag", "Co", "Co", "Rb", "Rb", "S", "S", "S", "S", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]

[ [ 2.97227647, 0, 0 ], [ 0, 5.51208112, 0 ], [ 0, 0, 3.75702829 ] ]

-47.8499

[ 0, 0, -0.001, -0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.028805, 0 ], [ 0, -0.028805, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.003889, 0 ], [ 0, -0.003889, 0 ], [ 0, -0.027484, 0.005547 ], [ 0, -0.027484, -0.005547 ], [ 0, 0.027484, 0.005547 ], [ 0, 0.027484, -0.005547 ], [ 0, 0.015153, 0 ], [ 0, -0.015153, 0 ] ]

-0.00924

null

pbe

true

ede71bc97f55380cad90e7e6a08c75a0_63_Rb2Co2Ag2Te2S4

[ "Cu", "Ga", "O", "Pd" ]

8

A4B2CD

Cu2GaO4Pd

Cu2 Ga1 O4 Pd1

4

[ 1, 1, 1 ]

3

[ [ 3.038377372, 0, 0 ], [ -1.519188686, 2.63131199, 0 ], [ 0, 0, 11.586696247 ] ]

oqmd-9109188

[ [ 8.852919873639834e-17, 1.7542100000000005, 2.8456 ], [ 1.51919, 0.8771, 8.7411 ], [ 0, 0, 0 ], [ 8.852919873639834e-17, 1.7542100000000005, 0.9952 ], [ 8.852919873639834e-17, 1.7542100000000005, 4.65311 ], [ 1.51919, 0.8771, 6.93359 ], [ 1.51919, 0.8771, 10.5915 ], [ 0, 0, 5.79335 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Cu", "Cu", "Ga", "O", "O", "O", "O", "Pd" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.5, 0.125 ]

[ [ 60.31721307, 0, 0 ], [ 0, 60.31721307, 0 ], [ 0, 0, 61.78388196 ] ]

-39.3296

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.011366 ], [ 0, 0, 0.011366 ], [ 0, 0, 0 ], [ 0, 0, 0.005514 ], [ 0, 0, -0.009024 ], [ 0, 0, 0.009024 ], [ 0, 0, -0.005514 ], [ 0, 0, 0 ] ]

null

pbe

false

61d25d07ccc511eb5ea0d297738bfc54_164_Ga1Cu2Pd1O4

[ "Fe", "O", "Se", "Sn" ]

8

ABCD

FeOSeSn

Fe1 O1 Se1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 3.722989, 0, 0 ], [ 0, 3.722989, 0 ], [ 0, 0, 11.577447 ] ]

oqmd-3480112

[ [ 2.792249999999999, 0.9307499999999984, 0 ], [ 0.9307499999999984, 2.792249999999999, 0 ], [ 0.9307499999999984, 0.9307499999999984, 4.974750000000004 ], [ 2.792249999999999, 2.792249999999999, 6.6027 ], [ 0.9307499999999984, 0.9307499999999984, 1.6898000000000035 ], [ 2.792249999999999, 2.792249999999999, 9.887639999999996 ], [ 2.792249999999999, 2.792249999999999, 4.521059999999995 ], [ 0.9307499999999984, 0.9307499999999984, 7.056379999999994 ] ]

[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Fe", "Fe", "O", "O", "Se", "Se", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 17.17306, 0, 0 ], [ 0, 17.17306, 0 ], [ 0, 0, 22.22077 ] ]

-41.2996

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.030195 ], [ 0, 0, -0.030195 ], [ 0, 0, -0.018346 ], [ 0, 0, 0.018346 ], [ 0, 0, 0.034699 ], [ 0, 0, -0.034699 ] ]

7.56295

null

pbe

false

8a4964382a9fad2df68fdf8124dfcad4_129_Fe2Sn2Se2O2

[ "H", "Na", "O", "Se", "Zn" ]

54

A14B4C4D3E2

H4Na2O14Se4Zn3

H4 Na2 O14 Se4 Zn3

5

[ 1, 1, 1 ]

3

[ [ 7.689129775, -3.272115528, 0 ], [ 7.689129775, 3.272115528, 0 ], [ -4.259571595, 0, 13.916308816 ] ]

oqmd-9868289

[ [ 11.689249999999998, 0.060109999999999775, 1.62664 ], [ 11.398269999999998, -1.4689200000000002, 1.6464400000000003 ], [ 1.8502000000000005, -1.46892, 5.31172 ], [ 1.5592200000000005, 0.06010999999999996, 5.331520000000001 ], [ 9.559469999999996, -0.06011000000000056, 8.584790000000002 ], [ 9.268489999999998, 1.46892, 8.60459 ], [ -0.2795799999999999, 1.46892, 12.26987 ], [ -0.5705700000000004, -0.06010999999999984, 12.28967 ], [ 6.012719999999999, 0.9499499999999996, 0.18256 ], [ 7.235759999999998, 0.9499499999999996, 6.775600000000001 ], [ 3.882929999999999, -0.94995, 7.140710000000001 ], [ 5.105969999999999, -0.9499500000000002, 13.73375 ], [ 8.637669999999998, 1.2747199999999994, 0.03665 ], [ 1.5522599999999998, 0.4063399999999998, 1.13124 ], [ 11.02412, -0.6122400000000001, 1.32974 ], [ 7.24963, 2.3571799999999996, 2.05559 ], [ 4.92515, 0.5844599999999998, 2.28811 ], [ 5.087809999999999, -2.1579499999999996, 2.36193 ], [ 7.834459999999997, -0.5710300000000006, 2.47028 ], [ 5.414009999999998, -0.5710300000000003, 4.4878800000000005 ], [ 8.160669999999998, -2.15795, 4.596220000000001 ], [ 8.323319999999999, 0.5844599999999996, 4.670050000000001 ], [ 5.998849999999999, 2.3571799999999996, 4.902570000000001 ], [ 2.224359999999999, -0.61224, 5.628410000000001 ], [ 11.69621, 0.40633999999999976, 5.82692 ], [ 4.610799999999999, 1.2747199999999996, 6.9215100000000005 ], [ 6.507879999999999, -1.27472, 6.994800000000001 ], [ -0.5775199999999997, -0.4063399999999998, 8.08939 ], [ 8.894329999999997, 0.6122399999999995, 8.2879 ], [ 5.11984, -2.35718, 9.013740000000002 ], [ 2.79537, -0.5844599999999999, 9.24626 ], [ 2.958019999999999, 2.15795, 9.320090000000002 ], [ 5.704669999999999, 0.5710299999999999, 9.42843 ], [ 3.2842299999999995, 0.57103, 11.446030000000002 ], [ 6.030879999999999, 2.1579499999999996, 11.554380000000002 ], [ 6.19353, -0.5844600000000002, 11.6282 ], [ 3.8690599999999984, -2.3571799999999996, 11.86072 ], [ 0.09456999999999936, 0.6122399999999999, 12.586570000000002 ], [ 9.56643, -0.4063400000000008, 12.78507 ], [ 2.4810199999999996, -1.2747200000000003, 13.87966 ], [ 8.938819999999998, 2.072739999999999, 1.5275700000000003 ], [ 4.344069999999999, -0.8060100000000002, 3.12559 ], [ 8.904409999999999, -0.8060099999999999, 3.83256 ], [ 4.309659999999999, 2.0727399999999996, 5.4305900000000005 ], [ 6.809029999999998, -2.0727399999999996, 8.485720000000002 ], [ 2.214279999999999, 0.8060099999999998, 10.08374 ], [ 6.774619999999998, 0.8060099999999999, 10.79072 ], [ 2.179869999999999, -2.0727399999999996, 12.38874 ], [ 6.988419999999999, -2.2228500000000007, 1.6859 ], [ 6.6242399999999995, 1.0604399999999994, 3.4790800000000006 ], [ 6.260049999999999, -2.2228500000000007, 5.2722500000000005 ], [ 4.85864, 2.22285, 8.64406 ], [ 4.494449999999999, -1.0604399999999998, 10.43723 ], [ 4.13027, 2.22285, 12.23041 ] ]

[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "H", "H", "H", "H", "H", "H", "H", "H", "Na", "Na", "Na", "Na", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.14814814814814814, 0.07407407407407407, 0.5185185185185185, 0.14814814814814814, 0.1111111111111111 ]

[ [ 27.62947795, 0, -0.31202191 ], [ 0, 31.60163618, 0 ], [ -0.31202191, 0, 33.65518531 ] ]

-268.609

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.025185, -0.022777, 0.007682 ], [ -0.029196, 0.069764, -0.008631 ], [ 0.029196, 0.069764, 0.008631 ], [ 0.025185, -0.022777, -0.007682 ], [ -0.025185, 0.022777, 0.007682 ], [ -0.029196, -0.069764, -0.008631 ], [ 0.029196, -0.069764, 0.008631 ], [ 0.025185, 0.022777, -0.007682 ], [ -0.010329, 0.000156, -0.001411 ], [ 0.010329, 0.000156, 0.001411 ], [ -0.010329, -0.000156, -0.001411 ], [ 0.010329, -0.000156, 0.001411 ], [ -0.00368, 0.024298, -0.012293 ], [ -0.013045, 0.023486, -0.004028 ], [ 0.038343, -0.041191, 0.028073 ], [ -0.005947, 0.028255, -0.017572 ], [ 0.029535, 0.01304, 0.011422 ], [ 0.020596, 0.003013, 0.01205 ], [ -0.022897, -0.004682, -0.000341 ], [ 0.022897, -0.004682, 0.000341 ], [ -0.020596, 0.003013, -0.01205 ], [ -0.029535, 0.01304, -0.011422 ], [ 0.005947, 0.028255, 0.017572 ], [ -0.038343, -0.041191, -0.028073 ], [ 0.013045, 0.023486, 0.004028 ], [ 0.00368, 0.024298, 0.012293 ], [ -0.00368, -0.024298, -0.012293 ], [ -0.013045, -0.023486, -0.004028 ], [ 0.038343, 0.041191, 0.028073 ], [ -0.005947, -0.028255, -0.017572 ], [ 0.029535, -0.01304, 0.011422 ], [ 0.020596, -0.003013, 0.01205 ], [ -0.022897, 0.004682, -0.000341 ], [ 0.022897, 0.004682, 0.000341 ], [ -0.020596, -0.003013, -0.01205 ], [ -0.029535, -0.01304, -0.011422 ], [ 0.005947, -0.028255, 0.017572 ], [ -0.038343, 0.041191, -0.028073 ], [ 0.013045, -0.023486, 0.004028 ], [ 0.00368, -0.024298, 0.012293 ], [ 0.024268, -0.066114, 0.020968 ], [ -0.051452, -0.00213, 0.0286 ], [ 0.051452, -0.00213, -0.0286 ], [ -0.024268, -0.066114, -0.020968 ], [ 0.024268, 0.066114, 0.020968 ], [ -0.051452, 0.00213, 0.0286 ], [ 0.051452, 0.00213, -0.0286 ], [ -0.024268, 0.066114, -0.020968 ], [ -0.018318, 0.018259, 0.004864 ], [ 0, -0.030144, 0 ], [ 0.018318, 0.018259, -0.004864 ], [ -0.018318, -0.018259, 0.004864 ], [ 0, 0.030144, 0 ], [ 0.018318, -0.018259, -0.004864 ] ]

null

pbe

true

e8623da038905348a93fe338658fdc99_15_Na4Zn6H8Se8O28

[ "Ag", "Cu" ]

10

A3B2

Ag2Cu3

Ag2 Cu3

2

[ 1, 1, 1 ]

3

[ [ 2.360318614, -6.781097872, 0 ], [ 2.360318614, 6.781097872, 0 ], [ -1.622501444, 0, 4.460385277 ] ]

oqmd-9973610

[ [ 1.9546900000000005, -6.093160000000001, 1.1151 ], [ 1.95469, 2.08808, 1.1151 ], [ 1.14344, -2.0880799999999997, 3.34529 ], [ 1.14344, 6.09316, 3.34529 ], [ 1.95469, -3.33695, 1.1151 ], [ 1.95469, -0.7245899999999998, 1.1151 ], [ 1.95469, 4.7202399999999995, 1.1151 ], [ 1.1434400000000005, -4.72024, 3.34529 ], [ 1.1434400000000005, 0.7245900000000002, 3.34529 ], [ 1.14344, 3.33695, 3.34529 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ag", "Ag", "Ag", "Ag", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2024-11-01 00:00:00

[ 0.4, 0.6 ]

[ [ 29.6767657, 0, -1.18616433 ], [ 0, 27.078627, 0 ], [ -1.18616433, 0, 26.2303916 ] ]

-32.57

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.012177, 0 ], [ 0, 0.047785, 0 ], [ 0, -0.047785, 0 ], [ 0, 0.012177, 0 ], [ 0, 0.039338, 0 ], [ 0, -0.021407, 0 ], [ 0, -0.012063, 0 ], [ 0, 0.012063, 0 ], [ 0, 0.021407, 0 ], [ 0, -0.039338, 0 ] ]

null

pbe

true

52df6d96d20a3810ea836faa21084a07_15_Cu6Ag4

[ "Nd", "Ru", "Sc", "Te" ]

9

A3B3C2D

Nd3RuSc3Te2

Nd3 Ru1 Sc3 Te2

4

[ 1, 1, 1 ]

3

[ [ 8.146006034, 0, 0 ], [ -4.073003017, 7.054648165, 0 ], [ 0, 0, 4.065977932 ] ]

oqmd-6101272

[ [ 3.2302000000000004, 0, 0 ], [ -1.615102737001836, 2.79744, 0 ], [ 2.4579, 4.25721, 0 ], [ 0, 0, 0 ], [ 6.31969, 0, 2.03299 ], [ 0.9131599999999996, 1.58164, 2.03299 ], [ -3.1598437966992745, 5.47301, 2.03299 ], [ 4.073, 2.35155, 2.03299 ], [ -1.2564285471033568e-16, 4.7031, 2.03299 ] ]

[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Nd", "Nd", "Nd", "Ru", "Sc", "Sc", "Sc", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.1111111111111111, 0.3333333333333333, 0.2222222222222222 ]

[ [ 7.85927193, 0, 0 ], [ 0, 7.85927193, 0 ], [ 0, 0, 7.68744186 ] ]

-55.8339

[ -0.001, 0, -0.001, -0.007, -0.002, -0.002, -0.002, 0, 0 ]

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-0.036549

null

pbe

false

aaf719ddcc8b66cde57ff36abbe5509a_189_Nd3Sc3Te2Ru1

[ "C", "F", "H", "N", "O", "S" ]

76

A8B3C3D3EF

C3F3H8NO3S

C3 F3 H8 N1 O3 S1

6

[ 1, 1, 1 ]

3

[ [ 8.367080636, 0, 0 ], [ 0, 7.789766013, 0 ], [ -0.36656462, 0, 10.314891828 ] ]

oqmd-6976349

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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.15789473684210523, 0.15789473684210523, 0.42105263157894735, 0.05263157894736842, 0.15789473684210523, 0.05263157894736842 ]

[ [ 41.73510276, 0, 0.36587368 ], [ 0, 40.2700117, 0 ], [ 0.36587368, 0, 35.52600496 ] ]

-408.082

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null

pbe

false

95b2f4556ca5263865d52cb608835575_14_H32C12S4N4O12F12

[ "Bi", "Nd", "O", "Se" ]

10

A2BCD

BiNdOSe2

Bi1 Nd1 O1 Se2

4

[ 1, 1, 1 ]

3

[ [ 4.094521554, 0, 0 ], [ 0, 4.094521554, 0 ], [ 0, 0, 14.828657367 ] ]

oqmd-5490870

[ [ 0, 2.0472600000000014, 2.013129999999994 ], [ 2.0472600000000014, 0, 12.81553 ], [ 2.0472600000000014, 0, 6.235359999999998 ], [ 0, 2.0472600000000014, 8.593299999999997 ], [ 0, 0, 7.414330000000005 ], [ 2.0472600000000014, 2.0472600000000014, 7.414330000000005 ], [ 2.0472600000000014, 0, 1.4600299999999993 ], [ 0, 2.0472600000000014, 4.673300000000005 ], [ 2.0472600000000014, 0, 10.155360000000003 ], [ 0, 2.0472600000000014, 13.368630000000003 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Bi", "Bi", "Nd", "Nd", "O", "O", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 7.77025451, 0, 0 ], [ 0, 7.77025451, 0 ], [ 0, 0, 8.78118396 ] ]

-58.1472

[ 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0.001 ]

[ [ 0, 0, -0.019682 ], [ 0, 0, 0.019682 ], [ 0, 0, 0.012519 ], [ 0, 0, -0.012519 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.000746 ], [ 0, 0, 0.039854 ], [ 0, 0, -0.039854 ], [ 0, 0, -0.000746 ] ]

-0.017818

null

pbe

true

1f4c7c121f88b00f822553468bfe4384_129_Nd2Bi2Se4O2

[ "Ag", "In", "Y" ]

9

ABC

AgInY

Ag1 In1 Y1

3

[ 1, 1, 1 ]

3

[ [ 7.844809649, 0, 0 ], [ -3.922404824, 6.793804444, 0 ], [ 0, 0, 3.954972666 ] ]

oqmd-7732942

[ [ 3.9224, 2.2646, 0 ], [ 6.618186617308528e-16, 4.5292, 0 ], [ 0, 0, 1.97749 ], [ 5.774360000000001, 0, 0 ], [ 1.0352200000000005, 1.7930600000000003, 0 ], [ -2.887184358234083, 5.00075, 0 ], [ 3.1674300000000004, 0, 1.97749 ], [ -1.583717976180523, 2.7430800000000004, 1.97749 ], [ 2.33869, 4.050730000000001, 1.97749 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Ag", "Ag", "Ag", "In", "In", "In", "Y", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 9.76832965, 0, 0 ], [ 0, 9.76832965, 0 ], [ 0, 0, 8.02451398 ] ]

-40.1162

[ 0, 0, 0, 0, 0, 0, -0.001, -0.001, -0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.036271, 0, 0 ], [ -0.018136, -0.031412, 0 ], [ -0.018136, 0.031412, 0 ], [ -0.023726, 0, 0 ], [ 0.011863, -0.020548, 0 ], [ 0.011863, 0.020548, 0 ] ]

-0.015766

null

pbe

true

0c262aa193dae86dd5c3201c5972a92d_189_Y3In3Ag3

[ "Cu", "Ho", "Zn" ]

6

A3B2C

CuHo2Zn3

Cu1 Ho2 Zn3

3

[ 1, 1, 1 ]

3

[ [ 5.034187337, -2.200319785, 0 ], [ 5.034187337, 2.200319785, 0 ], [ -4.696769061, 0, 5.135372847 ] ]

oqmd-6497543

[ [ 3.345390000000001, 3.506019483797269e-17, 3.66102 ], [ -0.9572799999999998, 1.207601148384029e-16, 1.51045 ], [ 6.31978, 5.196808774962364e-16, 3.63348 ], [ 6.1820200000000005, 1.4164968250853686e-16, 0.56889 ], [ 2.0461, 1.2577372842318944e-16, 1.4838 ], [ -0.8212299999999996, 2.939664000538988e-16, 4.54848 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Cu", "Ho", "Ho", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.5 ]

[ [ 14.08013163, 0, -1.16102098 ], [ 0, 14.83989203, 0 ], [ -1.16102098, 0, 18.4779477 ] ]

-18.7804

[ 0, 0.002, 0.002, 0, 0, 0 ]

[ [ 0.012745, 0, -0.021752 ], [ -0.01503, 0, -0.008843 ], [ 0.009398, 0, 0.005174 ], [ -0.019302, 0, 0.025748 ], [ -0.011526, 0, 0.021872 ], [ 0.023715, 0, -0.0222 ] ]

0.010455

null

pbe

true

83d3ed1c7154773626c219e50eb5b4ef_8_Ho2Zn3Cu1

[ "Cu", "Nb", "Pd", "Sr" ]

4

ABCD

CuNbPdSr

Cu1 Nb1 Pd1 Sr1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.325755, 3.325755 ], [ 3.325755, 0, 3.325755 ], [ 3.325755, 3.325755, 0 ] ]

oqmd-2904143

[ [ 4.9886300000000015, 4.9886300000000015, 4.9886300000000015 ], [ 1.6628699999999976, 1.6628699999999976, 1.6628699999999976 ], [ 3.325759999999997, 3.325759999999997, 3.325759999999997 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Cu", "Nb", "Pd", "Sr" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 8.62583, 0, 0 ], [ 0, 8.62583, 0 ], [ 0, 0, 8.62583 ] ]

-18.951

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000203

null

pbe

true

a3495c1fa571217c88734e0e1b9d22e9_216_Sr1Nb1Cu1Pd1

[ "Gd", "K", "Si" ]

3

ABC

GdKSi

Gd1 K1 Si1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.655277, 3.655277 ], [ 3.655277, 0, 3.655277 ], [ 3.655277, 3.655277, 0 ] ]

oqmd-3039105

[ [ 1.827630000000003, 1.827630000000003, 1.827630000000003 ], [ 5.482909999999999, 5.482909999999999, 5.482909999999999 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Gd", "K", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.13822, 0, 0 ], [ 0, 1.13822, 0 ], [ 0, 0, 1.13822 ] ]

-10.787

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000048

null

pbe

true

a288f9f7b12e7d29fdbfa7815477a511_216_K1Gd1Si1

[ "In", "Os", "Sm" ]

12

A4BC

InOsSm4

In1 Os1 Sm4

3

[ 1, 1, 1 ]

3

[ [ 4.440058004, -6.735723782, 0 ], [ 4.440058004, 6.735723782, 0 ], [ -1.947031726, 0, 5.912062763 ] ]

oqmd-9438370

[ [ 3.953300000000001, -1.6680200000000007, 1.4780199999999997 ], [ 2.979779999999999, 1.6680200000000005, 4.434049999999999 ], [ 3.953300000000001, 6.732340000000001, 1.4780199999999997 ], [ 2.9797800000000008, -6.732340000000001, 4.434049999999999 ], [ 5.316980000000001, 4.458590000000001, 0.29658999999999996 ], [ 2.2525300000000006, 1.00747, 0.6760699999999998 ], [ 5.65407, 1.0074700000000003, 2.27996 ], [ 2.58962, 4.458590000000001, 2.6594399999999996 ], [ 4.343459999999999, -4.45859, 3.25262 ], [ 1.27902, -1.00747, 3.632099999999999 ], [ 4.680550000000001, -1.00747, 5.23599 ], [ 1.6161099999999995, -4.45859, 5.61548 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "In", "In", "Os", "Os", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ 3.51954317, 0, 0.06810838 ], [ 0, 3.70108062, 0 ], [ 0.06810838, 0, 3.58446199 ] ]

-68.986

[ 0, 0, -0.001, -0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 ]

[ [ 0, -0.00011, 0 ], [ 0, 0.00011, 0 ], [ 0, -0.001193, 0 ], [ 0, 0.001193, 0 ], [ 0.009722, -0.029201, 0.0085 ], [ 0.015986, 0.01243, 0.003474 ], [ -0.015986, 0.01243, -0.003474 ], [ -0.009722, -0.029201, -0.0085 ], [ 0.009722, 0.029201, 0.0085 ], [ 0.015986, -0.01243, 0.003474 ], [ -0.015986, -0.01243, -0.003474 ], [ -0.009722, 0.029201, -0.0085 ] ]

0.018793

null

pbe

true

cbef8bf941fcbe7469dad5cc046a20ab_15_Sm8In2Os2

[ "Al", "Hf", "Pd", "Rh" ]

9

A3B3C2D

Al3Hf3Pd2Rh

Al3 Hf3 Pd2 Rh1

4

[ 1, 1, 1 ]

3

[ [ 7.227093098, 0, 0 ], [ -3.613546549, 6.258846218, 0 ], [ 0, 0, 3.449863466 ] ]

oqmd-6091500

[ [ 5.349139999999999, 0, 1.7249300000000003 ], [ 0.93898, 1.6263599999999998, 1.7249300000000003 ], [ -2.6745693486819917, 4.63249, 1.7249300000000003 ], [ 2.86453, 0, 0 ], [ -1.4322674538825422, 2.4807599999999996, 0 ], [ 2.1812799999999997, 3.77809, 0 ], [ 3.613549999999999, 2.08628, 1.7249300000000003 ], [ -2.833592054700723e-16, 4.17256, 1.7249300000000003 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Al", "Al", "Al", "Hf", "Hf", "Hf", "Pd", "Pd", "Rh" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.2222222222222222, 0.1111111111111111 ]

[ [ 9.09770396, 0, 0 ], [ 0, 9.09770396, 0 ], [ 0, 0, 6.70506258 ] ]

-65.6817

[ 0, 0, 0, -0.001, -0.001, -0.001, 0, 0, 0 ]

[ [ -0.035212, 0, 0 ], [ 0.017606, 0.030495, 0 ], [ 0.017606, -0.030495, 0 ], [ -0.006995, 0, 0 ], [ 0.003498, -0.006058, 0 ], [ 0.003498, 0.006058, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.008912

null

pbe

false

541b0811371fa91742dfd01d0c43d770_189_Hf3Al3Pd2Rh1

[ "As", "Au", "Cd", "O" ]

8

ABCD

AsAuCdO

As1 Au1 Cd1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.354774, 0, 0 ], [ 0, 4.354774, 0 ], [ 0, 0, 8.086286 ] ]

oqmd-3172860

[ [ 3.2660799999999997, 3.2660799999999997, 2.618130000000001 ], [ 1.0886900000000013, 1.0886900000000013, 5.468149999999996 ], [ 3.2660799999999997, 1.0886900000000013, 4.043149999999996 ], [ 1.0886900000000013, 3.2660799999999997, 4.043149999999996 ], [ 1.0886900000000013, 1.0886900000000013, 0.6066500000000001 ], [ 3.2660799999999997, 3.2660799999999997, 7.479640000000002 ], [ 3.2660799999999997, 1.0886900000000013, 0 ], [ 1.0886900000000013, 3.2660799999999997, 0 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "As", "As", "Au", "Au", "Cd", "Cd", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 16.8526, 0, 0 ], [ 0, 16.8526, 0 ], [ 0, 0, 12.94797 ] ]

-29.0282

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.081684 ], [ 0, 0, -0.081684 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.017732 ], [ 0, 0, 0.017732 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

true

d599a0155fea0a9d7f60317902e19a0c_129_Cd2As2Au2O2

[ "Au", "Nd", "Sr", "Te" ]

24

A3BCD

AuNdSrTe3

Au1 Nd1 Sr1 Te3

4

[ 1, 1, 1 ]

3

[ [ 11.659222175, 0, 0 ], [ 0, 4.42812779, 0 ], [ 0, 0, 14.806914776 ] ]

oqmd-5657561

[ [ 8.79328, 1.1070300000000013, 3.253540000000002 ], [ 2.963670000000003, 1.1070300000000013, 4.149909999999992 ], [ 8.69555, 3.3211000000000013, 10.657000000000002 ], [ 2.8659400000000046, 3.3211000000000013, 11.553369999999994 ], [ 6.101519999999999, 3.3211000000000013, 3.657590000000003 ], [ 0.27191000000000015, 3.3211000000000013, 3.7458600000000057 ], [ 11.38731, 1.1070300000000013, 11.061050000000003 ], [ 5.557700000000004, 1.1070300000000013, 11.149320000000008 ], [ 9.003420000000004, 3.3211000000000013, 0.17535999999999938 ], [ 3.173809999999995, 3.3211000000000013, 7.228089999999998 ], [ 8.485409999999998, 1.1070300000000013, 7.578819999999997 ], [ 2.655800000000001, 1.1070300000000013, 14.63155 ], [ 6.715160000000004, 1.1070300000000013, 1.44797 ], [ 11.12064, 1.1070300000000013, 1.5916500000000016 ], [ 3.153789999999999, 3.3211000000000013, 2.3701399999999966 ], [ 8.983399999999996, 3.3211000000000013, 5.0333099999999975 ], [ 5.291030000000003, 1.1070300000000013, 5.811799999999993 ], [ 0.8855500000000004, 1.1070300000000013, 5.955480000000003 ], [ 10.773669999999996, 3.3211000000000013, 8.851430000000006 ], [ 6.36819, 3.3211000000000013, 8.995110000000002 ], [ 2.675819999999997, 1.1070300000000013, 9.773599999999998 ], [ 8.505430000000006, 1.1070300000000013, 12.436769999999996 ], [ 0.53858, 3.3211000000000013, 13.215259999999994 ], [ 4.94406, 3.3211000000000013, 13.358940000000004 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Au", "Au", "Au", "Au", "Nd", "Nd", "Nd", "Nd", "Sr", "Sr", "Sr", "Sr", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 4.42760587, 0, 0 ], [ 0, 5.09716948, 0 ], [ 0, 0, 4.798074 ] ]

-105.68

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.000474, 0, 0.006495 ], [ 0.000474, 0, -0.006495 ], [ -0.000474, 0, 0.006495 ], [ -0.000474, 0, -0.006495 ], [ 0.009345, 0, -0.006395 ], [ 0.009345, 0, 0.006395 ], [ -0.009345, 0, -0.006395 ], [ -0.009345, 0, 0.006395 ], [ 0.009469, 0, 0.003086 ], [ 0.009469, 0, -0.003086 ], [ -0.009469, 0, 0.003086 ], [ -0.009469, 0, -0.003086 ], [ 0.022558, 0, 0.006781 ], [ -0.004541, 0, 0.00625 ], [ 0.005349, 0, -0.002506 ], [ 0.005349, 0, 0.002506 ], [ -0.004541, 0, -0.00625 ], [ 0.022558, 0, -0.006781 ], [ -0.022558, 0, 0.006781 ], [ 0.004541, 0, 0.00625 ], [ -0.005349, 0, -0.002506 ], [ -0.005349, 0, 0.002506 ], [ 0.004541, 0, -0.00625 ], [ -0.022558, 0, -0.006781 ] ]

0.020003

null

pbe

true

e17eee14876a4dc81ac68cf23d721cd6_62_Sr4Nd4Te12Au4

[ "Cd", "Dy", "Na", "Se" ]

24

A3BCD

CdDyNaSe3

Cd1 Dy1 Na1 Se3

4

[ 1, 1, 1 ]

3

[ [ 11.12166814, 0, 0 ], [ 0, 4.167870378, 0 ], [ 0, 0, 13.733046736 ] ]

oqmd-5598756

[ [ 2.645710000000004, 1.041970000000001, 3.008249999999999 ], [ 8.206540000000002, 1.041970000000001, 3.858279999999996 ], [ 2.9151300000000013, 3.125900000000001, 9.874769999999993 ], [ 8.475959999999999, 3.125900000000001, 10.724800000000002 ], [ 5.418750000000004, 3.125900000000001, 3.3219100000000066 ], [ 10.979580000000002, 3.125900000000001, 3.5446200000000028 ], [ 0.14209000000000033, 1.041970000000001, 10.18843 ], [ 5.702919999999999, 1.041970000000001, 10.411139999999996 ], [ 2.4263600000000034, 3.125900000000001, 0.07513000000000006 ], [ 7.987190000000002, 3.125900000000001, 6.791400000000001 ], [ 3.1344800000000017, 1.041970000000001, 6.941650000000001 ], [ 8.69531, 1.041970000000001, 13.657919999999994 ], [ 4.737450000000002, 1.041970000000001, 1.4664700000000062 ], [ 0.43473999999999974, 1.041970000000001, 1.6108599999999955 ], [ 8.19314, 3.125900000000001, 2.19792 ], [ 2.6322999999999945, 3.125900000000001, 4.668609999999995 ], [ 5.995569999999995, 1.041970000000001, 5.25567 ], [ 10.298279999999998, 1.041970000000001, 5.4000600000000025 ], [ 0.8233900000000001, 3.125900000000001, 8.332989999999999 ], [ 5.1260999999999965, 3.125900000000001, 8.477380000000002 ], [ 8.489369999999997, 1.041970000000001, 9.064439999999994 ], [ 2.928530000000003, 1.041970000000001, 11.535130000000002 ], [ 10.686930000000006, 3.125900000000001, 12.122189999999993 ], [ 6.384220000000001, 3.125900000000001, 12.266579999999996 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Cd", "Cd", "Cd", "Cd", "Dy", "Dy", "Dy", "Dy", "Na", "Na", "Na", "Na", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 7.56426405, 0, 0 ], [ 0, 7.58060723, 0 ], [ 0, 0, 10.17625587 ] ]

-98.7941

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.020028, 0, -0.004267 ], [ -0.020028, 0, 0.004267 ], [ 0.020028, 0, -0.004267 ], [ 0.020028, 0, 0.004267 ], [ 0.005254, 0, 0.01105 ], [ 0.005254, 0, -0.01105 ], [ -0.005254, 0, 0.01105 ], [ -0.005254, 0, -0.01105 ], [ -0.020264, 0, -0.016459 ], [ -0.020264, 0, 0.016459 ], [ 0.020264, 0, -0.016459 ], [ 0.020264, 0, 0.016459 ], [ 0.003471, 0, -0.027178 ], [ 0.015269, 0, -0.011701 ], [ 0.001569, 0, -0.007936 ], [ 0.001569, 0, 0.007936 ], [ 0.015269, 0, 0.011701 ], [ 0.003471, 0, 0.027178 ], [ -0.003471, 0, -0.027178 ], [ -0.015269, 0, -0.011701 ], [ -0.001569, 0, -0.007936 ], [ -0.001569, 0, 0.007936 ], [ -0.015269, 0, 0.011701 ], [ -0.003471, 0, 0.027178 ] ]

0.013204

null

pbe

true

620db80d61167e12d347f2fe0fa6851d_62_Na4Dy4Cd4Se12

[ "Cu", "Ge", "Nd", "Y" ]

11

A4B4C2D

Cu4Ge4Nd2Y

Cu4 Ge4 Nd2 Y1

4

[ 1, 1, 1 ]

3

[ [ -2.158124984, 3.343270813, 7.118196788 ], [ 2.158124984, -3.343270813, 7.118196788 ], [ 2.158124984, 3.343270813, -7.118196788 ] ]

oqmd-6144248

[ [ 2.1137261031894785e-18, 1.24416, 2.3710700000000005 ], [ 2.15812, -2.09911, 4.747130000000001 ], [ 1.912625202371951e-16, 5.44238, 2.37107 ], [ 2.15812, 2.099109999999999, 4.747130000000001 ], [ -5.6711863936500776e-18, 2.0492099999999995, -1.968015918144743e-16 ], [ 1.010769731203244e-16, 3.3432699999999995, 4.05499 ], [ 2.15812, -9.821318163074675e-17, 3.0632099999999993 ], [ 9.680283017178324e-17, 4.63733, -3.3305483047092814e-16 ], [ -1.72892748533133e-17, -6.75856547281084e-17, 5.2388 ], [ 6.86250971337827e-17, 1.5276427164340803e-16, 8.99759 ], [ 2.15812, -9.821318163074675e-17, 5.528737467257614e-16 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Cu", "Cu", "Cu", "Cu", "Ge", "Ge", "Ge", "Ge", "Nd", "Nd", "Y" ]

2024-11-01 00:00:00

[ 0.3636363636363637, 0.3636363636363637, 0.18181818181818185, 0.09090909090909093 ]

[ [ -0.95415892, 0, 0 ], [ 0, -3.19392036, 0 ], [ 0, 0, -1.09764935 ] ]

-56.0721

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.017368, -0.011769 ], [ 0, 0.017368, 0.011769 ], [ 0, -0.017368, -0.011769 ], [ 0, -0.017368, 0.011769 ], [ 0, 0.023217, 0 ], [ 0, 0, 0.043956 ], [ 0, 0, -0.043956 ], [ 0, -0.023217, 0 ], [ 0, 0, -0.002544 ], [ 0, 0, 0.002544 ], [ 0, 0, 0 ] ]

0.000186

null

pbe

true

ec0ddf298dda704ee4b5f64274ca5007_71_Nd2Y1Cu4Ge4

[ "K", "Li", "O", "P" ]

8

ABCD

KLiOP

K1 Li1 O1 P1

4

[ 1, 1, 1 ]

3

[ [ 3.497324806, 0, 0 ], [ 0, 6.34250453, 0 ], [ 0, 0, 7.410550836 ] ]

oqmd-7118308

[ [ 0, 4.16764, 3.15774 ], [ 0, 2.17486, 6.863020000000001 ], [ 1.74866, 5.998480000000001, 0.8258900000000001 ], [ 1.74866, 0.34402, 4.53117 ], [ 1.74866, 0.00817, 2.6845 ], [ 1.74866, 6.334329999999999, 6.38978 ], [ 0, 0.91427, 2.62468 ], [ 0, 5.42823, 6.32996 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "K", "K", "Li", "Li", "O", "O", "P", "P" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 9.43569725, 0, 0 ], [ 0, 7.94483598, 0 ], [ 0, 0, 13.19068747 ] ]

-32.5136

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.045825, 0.029913 ], [ 0, 0.045825, 0.029913 ], [ 0, 0.017347, -0.010875 ], [ 0, -0.017347, -0.010875 ], [ 0, -0.020476, -0.002422 ], [ 0, 0.020476, -0.002422 ], [ 0, -0.004545, -0.016616 ], [ 0, 0.004545, -0.016616 ] ]

null

pbe

false

7721c203accbcea57dce97cc56cbf159_26_K2Li2P2O2

[ "Ga", "La", "Zn" ]

9

ABC

GaLaZn

Ga1 La1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 8.213767355, 0, 0 ], [ -4.106883678, 7.113331191, 0 ], [ 0, 0, 3.691244502 ] ]

oqmd-5983205

[ [ 4.106880000000001, 2.37111, 0 ], [ 5.218941475146149e-16, 4.74222, 0 ], [ 0, 0, 1.84562 ], [ 2.39445, 0, 0 ], [ -1.1972281592197664, 2.07366, 0 ], [ 2.9096599999999997, 5.03967, 0 ], [ 5.11381, 0, 1.84562 ], [ 1.5499799999999997, 2.68464, 1.84562 ], [ -2.556905363683047, 4.42869, 1.84562 ] ]

[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Ga", "Ga", "Ga", "La", "La", "La", "Zn", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 30.95387219, 0, 0 ], [ 0, 30.95387219, 0 ], [ 0, 0, 4.90257154 ] ]

-29.4551

[ 0, 0, 0, 0.003, 0.002, 0.003, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02583, 0, 0 ], [ 0.012915, -0.02237, 0 ], [ 0.012915, 0.02237, 0 ], [ 0.045825, 0, 0 ], [ -0.022912, -0.039685, 0 ], [ -0.022912, 0.039685, 0 ] ]

0.027477

null

pbe

true

7b3c9eeb428b2e8022c31bb97eb78106_189_La3Zn3Ga3

[ "K", "Mg", "Os" ]

10

A2B2C

K2Mg2Os

K2 Mg2 Os1

3

[ 1, 1, 1 ]

3

[ [ 3.347156649, 0, 0 ], [ -1.673578325, 2.898722689, 0 ], [ 0, 0, 29.337541591 ] ]

oqmd-6281710

[ [ 1.1506805531457803e-16, 1.93248, 2.0485 ], [ 1.1506805531457803e-16, 1.93248, 12.62027 ], [ 1.67358, 0.96624, 16.717269999999996 ], [ 1.67358, 0.96624, 27.28904 ], [ 1.67358, 0.96624, 5.461189999999999 ], [ 1.67358, 0.96624, 9.20758 ], [ 1.1506805531457803e-16, 1.93248, 20.12996 ], [ 1.1506805531457803e-16, 1.93248, 23.876349999999995 ], [ 0, 0, 7.33439 ], [ 0, 0, 22.00316 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "K", "K", "K", "K", "Mg", "Mg", "Mg", "Mg", "Os", "Os" ]

2024-11-01 00:00:00

[ 0.4, 0.4, 0.2 ]

[ [ 3.29387333, 0, 0 ], [ 0, 3.29387333, 0 ], [ 0, 0, 5.43229111 ] ]

-26.4369

[ 0, 0, 0, 0, 0, 0, 0, 0, -0.038, -0.037 ]

[ [ 0, 0, 0.023818 ], [ 0, 0, -0.023818 ], [ 0, 0, 0.023818 ], [ 0, 0, -0.023818 ], [ 0, 0, -0.058699 ], [ 0, 0, 0.058699 ], [ 0, 0, -0.058699 ], [ 0, 0, 0.058699 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.119657

null

pbe

true

93ba6b22eaaa930448b8ecb3055d4eed_194_K4Mg4Os2

[ "As", "Cu", "K", "Rb" ]

8

A3B2C2D

As2Cu3K2Rb

As2 Cu3 K2 Rb1

4

[ 1, 1, 1 ]

3

[ [ 2.911377513, 1.680884591, 6.888504074 ], [ -2.911377513, 1.680884591, 6.888504074 ], [ 0, -3.361769182, 6.888504074 ] ]

oqmd-6076176

[ [ 4.548035488049291e-17, 1.940713977805226e-17, 5.22754 ], [ -1.1530430826571315e-16, -4.564741128548926e-17, 15.437969999999998 ], [ 2.289133701227005e-17, 1.6808823979273404, 6.888495086476388 ], [ 1.455689466954679, -0.8404396922461401, 6.888501261219079 ], [ -1.455689466954679, -0.8404396922461401, 6.888501261219079 ], [ 4.875424991058289e-18, -2.2810781806009013e-18, 1.83853 ], [ 1.424256902704056e-16, 1.6265648413974783e-16, 18.82698 ], [ 6.195396455965289e-17, 9.537912966642767e-17, 10.33276 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "As", "As", "Cu", "Cu", "Cu", "K", "K", "Rb" ]

2024-11-01 00:00:00

[ 0.25, 0.375, 0.25, 0.125 ]

[ [ 5.10701931, 0, 0 ], [ 0, 5.10701931, 0 ], [ 0, 0, 5.9059075 ] ]

-26.164

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.003643 ], [ 0, 0, 0.003643 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.006284 ], [ 0, 0, 0.006284 ], [ 0, 0, 0 ] ]

null

pbe

true

d3e1b545a6fb20f3124d332485f1e069_166_K2Rb1Cu3As2

[ "As", "Na", "O", "Ru" ]

8

ABCD

AsNaORu

As1 Na1 O1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 3.683301371, 0, 0 ], [ 0, 6.219344016, 0 ], [ 0, 0, 6.568044525 ] ]

oqmd-5590563

[ [ 0, 5.36236, 2.018379999999997 ], [ 0, 0.8569799999999992, 5.302399999999999 ], [ 1.8416500000000011, 2.3584400000000008, 0.5068 ], [ 1.8416500000000011, 3.8608999999999982, 3.790820000000002 ], [ 1.8416500000000011, 1.837979999999997, 2.6965799999999995 ], [ 1.8416500000000011, 4.381360000000002, 5.980600000000001 ], [ 0, 1.2412000000000012, 3.0145500000000003 ], [ 0, 4.978139999999997, 6.298570000000002 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "As", "As", "Na", "Na", "O", "O", "Ru", "Ru" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 14.1159952, 0, 0 ], [ 0, 13.36584059, 0 ], [ 0, 0, 22.78651133 ] ]

-44.0382

[ 0, 0, 0, 0, 0, 0, 0, -0.001 ]

[ [ 0, -0.024169, 0.026512 ], [ 0, 0.024169, 0.026512 ], [ 0, -0.009823, 0.004039 ], [ 0, 0.009823, 0.004039 ], [ 0, -0.03162, 0.016779 ], [ 0, 0.03162, 0.016779 ], [ 0, 0.047984, -0.047331 ], [ 0, -0.047984, -0.047331 ] ]

-0.004407

null

pbe

false

4ef49753c693b4b14ee5a407222f2d26_26_Na2As2Ru2O2

[ "F", "Mo", "Na", "O" ]

14

A3B2CD

F3MoNaO2

F3 Mo1 Na1 O2

4

[ 1, 1, 1 ]

3

[ [ -2.622581698, 3.03525756, 5.890185524 ], [ 2.622581698, -3.03525756, 5.890185524 ], [ 2.622581698, 3.03525756, -5.890185524 ] ]

oqmd-5583917

[ [ 1.3112898096152374, -1.517627577063039, 2.945090427594522 ], [ 1.6290224295126437e-15, 0.3271899999999984, 1.8953100000000007 ], [ -5.1601678556265385e-17, 2.70807, 1.8953100000000045 ], [ 1.3112909515639488, 1.51762889870288, -2.9450929923534286 ], [ 2.6225800000000015, 0.32718999999999687, 3.9948700000000015 ], [ 2.6225800000000015, 2.70807, 3.9948700000000015 ], [ 2.6225800000000015, -1.5176300000000011, 4.57157 ], [ -2.6881708707539703e-15, 4.5528900000000005, 1.3186200000000017 ], [ -1.1041705796784609e-17, 1.5176300000000014, 4.1654299999999935 ], [ 2.6225799999999992, 1.517629999999998, 1.7247500000000058 ], [ -1.2897499999999993, 1.5176299999999996, 6.123610000000003 ], [ 1.2897499999999988, 1.5176300000000007, 6.12361 ], [ 1.3328300000000004, 1.5176299999999985, -0.23343000000000028 ], [ 3.9123300000000025, 1.517629999999998, -0.23342999999999983 ] ]

[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "F", "F", "F", "F", "F", "F", "Mo", "Mo", "Na", "Na", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.42857142857142855, 0.14285714285714285, 0.14285714285714285, 0.2857142857142857 ]

[ [ 70.97762275, 0, 0 ], [ 0, 69.97394152, 0 ], [ 0, 0, 60.08048371 ] ]

-87.5331

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0.005662, 0.001615 ], [ 0, -0.005662, 0.001615 ], [ 0, 0, 0 ], [ 0, 0.005662, -0.001615 ], [ 0, -0.005662, -0.001615 ], [ 0, 0, 0.002684 ], [ 0, 0, -0.002684 ], [ 0, 0, -0.060601 ], [ 0, 0, 0.060601 ], [ 0.013364, 0, 0.006449 ], [ -0.013364, 0, 0.006449 ], [ 0.013364, 0, -0.006449 ], [ -0.013364, 0, -0.006449 ] ]

0.000857

null

pbe

false

8938d75184a909df479dc446e99b8410_74_Na2Mo2O4F6

[ "Mo", "N", "Nd", "O" ]

8

ABCD

MoNNdO

Mo1 N1 Nd1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.888383, 0, 0 ], [ 0, 4.888383, 0 ], [ 0, 0, 4.551094 ] ]

oqmd-3628127

[ [ 3.666299999999998, 3.666299999999998, 0.0011399999999999993 ], [ 1.222109999999999, 1.222109999999999, 4.54996 ], [ 1.222109999999999, 1.222109999999999, 2.2720500000000015 ], [ 3.666299999999998, 3.666299999999998, 2.279040000000001 ], [ 3.666299999999998, 1.222109999999999, 2.2755500000000004 ], [ 1.222109999999999, 3.666299999999998, 2.2755500000000004 ], [ 3.666299999999998, 1.222109999999999, 0 ], [ 1.222109999999999, 3.666299999999998, 0 ] ]

[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Mo", "Mo", "N", "N", "Nd", "Nd", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 72.83932, 0, 0 ], [ 0, 72.83932, 0 ], [ 0, 0, 12.0374 ] ]

-64.72

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.005696 ], [ 0, 0, 0.005696 ], [ 0, 0, 0.010755 ], [ 0, 0, -0.010755 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.27753

null

pbe

false

b87d9030650d51b9d234494d0e1b10f1_123_Nd2Mo2N2O2

[ "Au", "Ge", "S", "Se", "Tm" ]

12

A2BCDE

AuGeSSe2Tm

Au1 Ge1 S1 Se2 Tm1

5

[ 1, 1, 1 ]

3

[ [ 1.971753365, -6.631729807, 0 ], [ 1.971753365, 6.631729807, 0 ], [ 0, 0, 10.120843203 ] ]

oqmd-5009743

[ [ 1.971750000000001, -0.34830000000000216, 2.530209999999998 ], [ 1.971750000000001, 0.3483000000000022, 7.5906299999999955 ], [ 1.9717499999999992, 3.2433100000000032, 2.530209999999998 ], [ 1.9717499999999992, -3.2433100000000037, 7.5906299999999955 ], [ 1.971750000000001, -5.293139999999999, 2.530209999999998 ], [ 1.9717500000000012, 5.293139999999998, 7.5906299999999955 ], [ 1.9717499999999992, -2.019040000000004, 0.5729300000000003 ], [ 1.9717499999999992, -2.019040000000004, 4.4874899999999975 ], [ 1.971750000000001, 2.0190399999999977, 5.633349999999996 ], [ 1.971750000000001, 2.0190399999999977, 9.547919999999996 ], [ 0, 0, 0 ], [ 0, 0, 5.060419999999996 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Au", "Au", "Ge", "Ge", "S", "S", "Se", "Se", "Se", "Se", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]

[ [ 2.78563991, 0, 0 ], [ 0, 1.93024872, 0 ], [ 0, 0, 3.12811698 ] ]

-55.4729

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001 ]

[ [ 0, -0.00848, 0 ], [ 0, 0.00848, 0 ], [ 0, 0.007576, 0 ], [ 0, -0.007576, 0 ], [ 0, 0.00545, 0 ], [ 0, -0.00545, 0 ], [ 0, 0.014483, -0.002586 ], [ 0, 0.014483, 0.002586 ], [ 0, -0.014483, -0.002586 ], [ 0, -0.014483, 0.002586 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.018299

null

pbe

true

ce36f5c80f8e9cedd179784e373a1a40_63_Tm2Ge2Au2Se4S2

[ "Pd", "Sn" ]

9

A7B2

Pd7Sn2

Pd7 Sn2

2

[ 1, 1, 1 ]

3

[ [ 2.923026969, 0, 0 ], [ -1.461513484, 2.531415611, 0 ], [ 0, 0, 31.70971506 ] ]

oqmd-9812351

[ [ 0, 0, 9.30801 ], [ 1.4615100000000003, 0.84381, 11.53887 ], [ 5.879248202840301e-17, 1.68761, 13.70825 ], [ 0, 0, 15.85486 ], [ 1.4615100000000003, 0.84381, 18.00147 ], [ 5.879248202840301e-17, 1.68761, 20.17084 ], [ 0, 0, 22.40171 ], [ 5.879248202840301e-17, 1.68761, 7.0487 ], [ 1.4615100000000003, 0.84381, 24.66102 ] ]

[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Sn", "Sn" ]

2024-11-01 00:00:00

[ 0.7777777777777778, 0.2222222222222222 ]

[ [ 27.85904003, -0.01658898, -0.00152516 ], [ -0.01658898, 27.83928299, 0.00094847 ], [ -0.00152516, 0.00094847, 14.04018845 ] ]

-43.8544

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.000003, 0.000002, -0.10567 ], [ -0.000012, 0.00001, -0.035385 ], [ 0.000011, -0.000009, -0.001632 ], [ -0.000001, 0.000002, 0.000482 ], [ -0.000011, 0.00001, 0.0033 ], [ 0.000013, -0.000011, 0.038382 ], [ -0.000004, -0.000003, 0.101893 ], [ 0.000011, -0.000002, -0.032944 ], [ -0.00001, 0.000001, 0.031573 ] ]

null

pbe

true

c6271af6b7bed2f5e5cf8f4c3be90472_164_Sn2Pd7

[ "Cs", "S", "Si", "Te", "Tl" ]

12

A2BCDE

CsS2SiTeTl

Cs1 S2 Si1 Te1 Tl1

5

[ 1, 1, 1 ]

3

[ [ 7.137936626, -3.593156257, 0 ], [ 7.137936626, 3.593156257, 0 ], [ -6.442117822, 0, 8.301403738 ] ]

oqmd-9195301

[ [ 8.16408, 3.7714917325746035e-18, 2.91075 ], [ -0.33031999999999995, 3.5454860786832154e-17, 5.390649999999999 ], [ 1.3936599999999997, -2.5167475312932058e-17, 2.22682 ], [ 3.9168799999999986, -1.62525, 4.1507000000000005 ], [ 3.916879999999999, 1.62525, 4.1507000000000005 ], [ 6.440089999999999, -9.285337780370948e-17, 6.07458 ], [ 3.41957, -7.956851908088209e-17, 2.75029 ], [ 4.414189999999999, 3.0356933682937183e-17, 5.55111 ], [ 4.949340000000001, 2.3187972771407258e-17, 0.7775 ], [ 2.8844100000000013, -2.1271383435880275e-16, 7.52391 ], [ 12.28081, 9.550257250941803e-18, 0.71133 ], [ -4.4470600000000005, 2.2968486086693992e-17, 7.59008 ] ]

[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Cs", "Cs", "S", "S", "S", "S", "Si", "Si", "Te", "Te", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.04298, 0, -0.0493 ], [ 0, 1.85283, 0 ], [ -0.0493, 0, 1.88194 ] ]

-49.2829

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.009133, 0, -0.00746 ], [ -0.009133, 0, 0.00746 ], [ 0.026624, 0, 0.013368 ], [ 0, 0.057798, 0 ], [ 0, -0.057798, 0 ], [ -0.026624, 0, -0.013368 ], [ 0.006183, 0, 0.034517 ], [ -0.006183, 0, -0.034517 ], [ -0.02025, 0, 0.021421 ], [ 0.02025, 0, -0.021421 ], [ -0.024285, 0, -0.014601 ], [ 0.024285, 0, 0.014601 ] ]

null

pbe

false

eff8473e1dedeb03dc5e7d4f757052b9_12_Cs2Tl2Si2Te2S4

[ "Cu", "Dy", "Li", "O", "Se" ]

8

A2B2C2DE

CuDy2LiO2Se2

Cu1 Dy2 Li1 O2 Se2

5

[ 1, 1, 1 ]

3

[ [ 3.890051012, 0, 0 ], [ 0, 3.890051012, 0 ], [ 0, 0, 8.740688914 ] ]

oqmd-6726581

[ [ 1.94503, 1.94503, 0 ], [ 0, 1.94503, 3.25826 ], [ 1.94503, 0, 5.48243 ], [ 0, 0, 0 ], [ 0, 0, 4.37034 ], [ 1.94503, 1.94503, 4.37034 ], [ 1.94503, 0, 1.57352 ], [ 0, 1.94503, 7.16717 ] ]

[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "Cu", "Dy", "Dy", "Li", "O", "O", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.125, 0.25, 0.125, 0.25, 0.25 ]

[ [ 15.28001082, 0, 0 ], [ 0, 15.28001082, 0 ], [ 0, 0, 16.99268902 ] ]

-48.1255

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.075348 ], [ 0, 0, 0.075348 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.008333 ], [ 0, 0, 0.008333 ] ]

0.003474

null

pbe

false

4913aa6aa8124ef4fab3c03dc6638506_115_Li1Dy2Cu1Se2O2

[ "Ag", "Cu" ]

9

A7B2

Ag2Cu7

Ag2 Cu7

2

[ 1, 1, 1 ]

3

[ [ 2.685283831, 0, 0 ], [ -1.342641915, 2.325524014, 0 ], [ 0, 0, 19.133257781 ] ]

oqmd-9962916

[ [ 1.34264, 0.7751700000000001, 5.30728 ], [ 7.2302201560504e-17, 1.55035, 13.82598 ], [ 7.2302201560504e-17, 1.55035, 1.01183 ], [ 0, 0, 3.0217 ], [ 7.2302201560504e-17, 1.55035, 7.578729999999999 ], [ 0, 0, 9.56663 ], [ 1.34264, 0.7751700000000001, 11.55452 ], [ 0, 0, 16.11156 ], [ 1.34264, 0.7751700000000001, 18.12142 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}]

[ "Ag", "Ag", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.7777777777777778 ]

[ [ 30.3292299, 0, 0 ], [ 0, 30.3292299, 0 ], [ 0, 0, 31.31288412 ] ]

-30.8373

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.052756 ], [ 0, 0, 0.052756 ], [ 0, 0, -0.01536 ], [ 0, 0, -0.043413 ], [ 0, 0, -0.016093 ], [ 0, 0, 0 ], [ 0, 0, 0.016093 ], [ 0, 0, 0.043413 ], [ 0, 0, 0.01536 ] ]

null

pbe

true

65e964e98f6fa01fb13908498d456dc1_164_Cu7Ag2

[ "Ag", "B", "Ir" ]

4

A2BC

AgB2Ir

Ag1 B2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.911317119, 2.911317119 ], [ 2.911317119, 0, 2.911317119 ], [ 2.911317119, 2.911317119, 0 ] ]

oqmd-5545538

[ [ 2.911320000000002, 2.911320000000002, 2.911320000000002 ], [ 0, 0, 0 ], [ 4.366979999999997, 4.366979999999997, 4.366979999999997 ], [ 1.455660000000001, 1.455660000000001, 1.455660000000001 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Ag", "B", "B", "Ir" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 6.67846383, 0, 0 ], [ 0, 6.67846383, 0 ], [ 0, 0, 6.67846383 ] ]

-18.6156

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000189

null

pbe

true

8a7bbc22db786e7dad5607472bea4d9c_216_Ag1B2Ir1

[ "As", "H", "Mg", "O", "Tl" ]

50

A12B10CDE

AsH12MgO10Tl

As1 H12 Mg1 O10 Tl1

5

[ 1, 1, 1 ]

3

[ [ 6.879213147, 0, 0 ], [ 0, 6.122798975, 0 ], [ 0, 0, 11.23034415 ] ]

oqmd-5893511

[ [ 0, 6.07456, 0.09535 ], [ 3.43961, 0.04824, 5.71052 ], [ 1.77774, 2.23781, 0.14364 ], [ 5.10147, 2.23781, 0.14364 ], [ 1.22034, 3.73283, 0.3213 ], [ 5.65887, 3.73283, 0.3213 ], [ 1.41684, 1.34185, 2.101189999999999 ], [ 5.46237, 1.34185, 2.101189999999999 ], [ 0, 4.45958, 2.46763 ], [ 2.23756, 1.13992, 3.45129 ], [ 4.64165, 1.13992, 3.45129 ], [ 0, 5.1397, 3.9401 ], [ 0.80071, 0.01084, 5.58836 ], [ 6.0785, 0.01084, 5.58836 ], [ 1.6618700000000002, 3.8849900000000006, 5.758810000000001 ], [ 5.21734, 3.8849900000000006, 5.758810000000001 ], [ 2.21927, 2.38997, 5.93647 ], [ 4.65994, 2.38997, 5.93647 ], [ 2.02277, 4.78095, 7.71636 ], [ 4.85644, 4.78095, 7.71636 ], [ 3.43961, 1.66322, 8.0828 ], [ 1.20205, 4.98288, 9.06646 ], [ 5.67716, 4.98288, 9.06646 ], [ 3.43961, 0.9831, 9.55527 ], [ 2.6389, 6.111960000000001, 11.20353 ], [ 4.24031, 6.111960000000001, 11.20353 ], [ 0, 2.3551000000000006, 4.25693 ], [ 3.43961, 3.7677, 9.8721 ], [ 2.03138, 3.20336, 0.01766 ], [ 4.84783, 3.20336, 0.01766 ], [ 1.41542, 0.76599, 0.6185 ], [ 5.46379, 0.76599, 0.6185 ], [ 0, 4.52922, 0.85763 ], [ 1.54864, 1.7444000000000002, 3.0181099999999996 ], [ 5.33057, 1.7444000000000002, 3.0181099999999996 ], [ 0, 4.27341, 3.45729 ], [ 3.43961, 0.21744, 4.00994 ], [ 0, 0.39674, 5.10051 ], [ 1.40823, 2.91944, 5.63283 ], [ 5.47098, 2.91944, 5.63283 ], [ 2.02419, 5.35681, 6.233669999999999 ], [ 4.85502, 5.35681, 6.233669999999999 ], [ 3.43961, 1.59358, 6.4728 ], [ 1.89097, 4.3784, 8.63328 ], [ 4.98824, 4.3784, 8.63328 ], [ 3.43961, 1.84939, 9.07246 ], [ 0, 5.90536, 9.62511 ], [ 3.43961, 5.7260599999999995, 10.71568 ], [ 3.43961, 3.85987, 2.47517 ], [ 0, 2.26293, 8.09034 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "As", "As", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Mg", "Mg", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.04, 0.48, 0.04, 0.4, 0.04 ]

[ [ 34.1248754, 0, 0 ], [ 0, 33.78389809, 0 ], [ 0, 0, 32.41936725 ] ]

-258.569

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.022377, -0.023311 ], [ 0, -0.022377, -0.023311 ], [ 0.006977, 0.017393, -0.006752 ], [ -0.006977, 0.017393, -0.006752 ], [ 0.043019, -0.038421, -0.009671 ], [ -0.043019, -0.038421, -0.009671 ], [ 0.005913, 0.005863, 0.045506 ], [ -0.005913, 0.005863, 0.045506 ], [ 0, -0.027353, 0.052717 ], [ -0.030477, 0.016292, -0.013107 ], [ 0.030477, 0.016292, -0.013107 ], [ 0, -0.032373, -0.02512 ], [ -0.028359, -0.000401, -0.022008 ], [ 0.028359, -0.000401, -0.022008 ], [ -0.006977, -0.017393, -0.006752 ], [ 0.006977, -0.017393, -0.006752 ], [ -0.043019, 0.038421, -0.009671 ], [ 0.043019, 0.038421, -0.009671 ], [ -0.005913, -0.005863, 0.045506 ], [ 0.005913, -0.005863, 0.045506 ], [ 0, 0.027353, 0.052717 ], [ 0.030477, -0.016292, -0.013107 ], [ -0.030477, -0.016292, -0.013107 ], [ 0, 0.032373, -0.02512 ], [ 0.028359, 0.000401, -0.022008 ], [ -0.028359, 0.000401, -0.022008 ], [ 0, -0.00474, -0.020139 ], [ 0, 0.00474, -0.020139 ], [ -0.059556, 0.006992, 0.042728 ], [ 0.059556, 0.006992, 0.042728 ], [ 0.039016, 0.005254, 0.010333 ], [ -0.039016, 0.005254, 0.010333 ], [ 0, -0.037228, 0.015758 ], [ 0.03754, -0.036738, -0.036428 ], [ -0.03754, -0.036738, -0.036428 ], [ 0, 0.03781, -0.046754 ], [ 0, 0.038561, -0.002783 ], [ 0, -0.049938, 0.011734 ], [ 0.059556, -0.006992, 0.042728 ], [ -0.059556, -0.006992, 0.042728 ], [ -0.039016, -0.005254, 0.010333 ], [ 0.039016, -0.005254, 0.010333 ], [ 0, 0.037228, 0.015758 ], [ -0.03754, 0.036738, -0.036428 ], [ 0.03754, 0.036738, -0.036428 ], [ 0, -0.03781, -0.046754 ], [ 0, -0.038561, -0.002783 ], [ 0, 0.049938, 0.011734 ], [ 0, 0.006471, 0.016698 ], [ 0, -0.006471, 0.016698 ] ]

null

pbe

false

1b91999080d335821e290f3cac73901e_31_Mg2Tl2As2H24O20

[ "Cd", "Ir", "U" ]

3

ABC

CdIrU

Cd1 Ir1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.338171, 3.338171 ], [ 3.338171, 0, 3.338171 ], [ 3.338171, 3.338171, 0 ] ]

oqmd-3759973

[ [ 1.6690899999999989, 1.6690899999999989, 1.6690899999999989 ], [ 5.007260000000001, 5.007260000000001, 5.007260000000001 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Cd", "Ir", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 12.59409, 0, 0 ], [ 0, 12.59409, 0 ], [ 0, 0, 12.59409 ] ]

-19.1227

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.35072

null

pbe

true

72b76fcbcaab3fa0ee32a84a6e71e672_216_U1Cd1Ir1

[ "Cd", "O", "Sr" ]

6

A3B2C

CdO3Sr2

Cd1 O3 Sr2

3

[ 1, 1, 1 ]

3

[ [ 3.566011421, 0, 0 ], [ -1.78300571, 3.08825648, 0 ], [ 0, 0, 8.46284401 ] ]

oqmd-6610350

[ [ 0, 0, 0 ], [ 3.261635021468131e-16, 2.05884, 1.29523 ], [ 0, 0, 4.23142 ], [ 1.78301, 1.02942, 7.16761 ], [ 1.78301, 1.02942, 2.72692 ], [ 3.261635021468131e-16, 2.05884, 5.73592 ] ]

[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Cd", "O", "O", "O", "Sr", "Sr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 41.1873463, 0, 0 ], [ 0, 41.1873463, 0 ], [ 0, 0, 40.91220072 ] ]

-32.0425

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.005204 ], [ 0, 0, 0 ], [ 0, 0, 0.005204 ], [ 0, 0, 0.037317 ], [ 0, 0, -0.037317 ] ]

null

pbe

true

9b1ae09db39ecc8ec2969df67265f914_164_Sr2Cd1O3

[ "Cr", "Ga", "Zn" ]

3

ABC

CrGaZn

Cr1 Ga1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.970908, 2.970908 ], [ 2.970908, 0, 2.970908 ], [ 2.970908, 2.970908, 0 ] ]

oqmd-3148250

[ [ 0, 0, 0 ], [ 1.4854599999999971, 1.4854599999999971, 1.4854599999999971 ], [ 4.456359999999999, 4.456359999999999, 4.456359999999999 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Cr", "Ga", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.62958, 0, 0 ], [ 0, 3.62958, 0 ], [ 0, 0, 3.62958 ] ]

-12.6408

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.88818

null

pbe

false

1887a67ca4ec4fcaddd9e5bb1ac7f7ea_216_Zn1Cr1Ga1

[ "Ba", "Ce", "Cu", "Te" ]

24

A3BCD

BaCeCuTe3

Ba1 Ce1 Cu1 Te3

4

[ 1, 1, 1 ]

3

[ [ 11.949042659, 0, 0 ], [ 0, 4.529359568, 0 ], [ 0, 0, 14.971452129 ] ]

oqmd-5549376

[ [ 8.679990000000005, 1.1323400000000017, 0.03467000000000003 ], [ 2.705469999999997, 1.1323400000000017, 7.451050000000005 ], [ 9.24358, 3.3970200000000004, 7.520400000000006 ], [ 3.269060000000005, 3.3970200000000004, 14.936780000000008 ], [ 0.2074600000000004, 3.3970200000000004, 3.6268600000000064 ], [ 6.18198, 3.3970200000000004, 3.858860000000001 ], [ 5.767059999999994, 1.1323400000000017, 11.112590000000008 ], [ 11.741589999999997, 1.1323400000000017, 11.344590000000004 ], [ 3.084770000000004, 1.1323400000000017, 3.2388000000000003 ], [ 9.05929, 1.1323400000000017, 4.246920000000007 ], [ 2.8897500000000043, 3.3970200000000004, 10.724530000000003 ], [ 8.864280000000006, 3.3970200000000004, 11.732649999999996 ], [ 1.0473300000000003, 1.1323400000000017, 1.534779999999997 ], [ 5.316669999999997, 1.1323400000000017, 1.7237000000000051 ], [ 9.110649999999994, 3.3970200000000004, 2.6846100000000006 ], [ 3.136129999999997, 3.3970200000000004, 4.801110000000007 ], [ 11.291190000000006, 1.1323400000000017, 5.7620200000000015 ], [ 7.021849999999994, 1.1323400000000017, 5.950939999999995 ], [ 4.9271899999999995, 3.3970200000000004, 9.02051 ], [ 0.6578500000000005, 3.3970200000000004, 9.209429999999994 ], [ 8.812920000000002, 1.1323400000000017, 10.170340000000005 ], [ 2.838400000000005, 1.1323400000000017, 12.286839999999994 ], [ 6.632380000000003, 3.3970200000000004, 13.247750000000003 ], [ 10.90172, 3.3970200000000004, 13.436669999999998 ] ]

[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ba", "Ba", "Ba", "Ba", "Ce", "Ce", "Ce", "Ce", "Cu", "Cu", "Cu", "Cu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 2.10362856, 0, 0 ], [ 0, 2.27277451, 0 ], [ 0, 0, 2.61827773 ] ]

-109.472

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.004617, 0, -0.014234 ], [ -0.004617, 0, 0.014234 ], [ 0.004617, 0, -0.014234 ], [ 0.004617, 0, 0.014234 ], [ -0.011667, 0, 0.014991 ], [ -0.011667, 0, -0.014991 ], [ 0.011667, 0, 0.014991 ], [ 0.011667, 0, -0.014991 ], [ 0.016077, 0, 0.026078 ], [ 0.016077, 0, -0.026078 ], [ -0.016077, 0, 0.026078 ], [ -0.016077, 0, -0.026078 ], [ 0.027332, 0, 0.012106 ], [ -0.011757, 0, 0.020672 ], [ 0.006207, 0, -0.004877 ], [ 0.006207, 0, 0.004877 ], [ -0.011757, 0, -0.020672 ], [ 0.027332, 0, -0.012106 ], [ -0.027332, 0, 0.012106 ], [ 0.011757, 0, 0.020672 ], [ -0.006207, 0, -0.004877 ], [ -0.006207, 0, 0.004877 ], [ 0.011757, 0, -0.020672 ], [ -0.027332, 0, -0.012106 ] ]

0.012312

null

pbe

false

d40afca0122c8d19ead445371f4adabf_62_Ba4Ce4Cu4Te12

[ "Ce", "Cu", "Ge", "Si" ]

6

A2B2CD

Ce2Cu2GeSi

Ce2 Cu2 Ge1 Si1

4

[ 1, 1, 1 ]

3

[ [ 4.267107552, 0, 0 ], [ -2.133553776, 3.695423541, 0 ], [ 0, 0, 8.172812799 ] ]

oqmd-6346856

[ [ 2.13355, 1.2318100000000003, 2.06015 ], [ 2.13355, 1.2318100000000003, 6.11266 ], [ -8.221290357504143e-17, 2.4636200000000006, 0 ], [ 0, 0, 4.08641 ], [ 0, 0, 0 ], [ -8.221290357504143e-17, 2.4636200000000006, 4.08641 ] ]

[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Ce", "Ce", "Cu", "Cu", "Ge", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]

[ [ 15.42384016, 0, 0 ], [ 0, 15.42384016, 0 ], [ 0, 0, 12.52345432 ] ]

-30.6653

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.014222 ], [ 0, 0, 0.014222 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001114

null

pbe

false

1c7c17bee2c8cf31f3ef8274d618fd27_187_Ce2Cu2Si1Ge1

[ "Cl", "N", "Pr" ]

20

A12B7C

Cl12NPr7

Pr7 N1 Cl12

3

[ 1, 1, 1 ]

3

[ [ 8.54135213, -0.15861341, -2.58253837 ], [ -3.43615196, 7.82129814, -2.58253832 ], [ -0.10567538, -0.15861343, 8.92261318 ] ]

agm005809520

[ [ 5.826664621379253, 5.0905881211939334, 3.6792120407319118 ], [ 2.286891090106647, 0.786753792364394, -0.8162991178282695 ], [ 0.7831410020444279, 0.16624767487325637, 2.423684784418754 ], [ 2.499762395, 3.75203565, 1.8787682450000007 ], [ 4.216383787955572, 7.337823625126743, 1.3338517055812467 ], [ 2.7126336998933525, 6.717317507635606, 4.573835607828269 ], [ -0.8271398313792538, 2.4134831788060667, 0.07832444926808976 ], [ 0, 0, 0 ], [ 6.712568709062804, 2.185402857773157, 3.7371783100430505 ], [ 5.0842750997409905, 1.6269955405253205, -1.6511504647420256 ], [ 3.440818470362867, 1.0776665754807004, 1.808553093478261 ], [ 5.042612501104208, 4.602851458262002, 0.9553002432436035 ], [ 1.56783464817257, 0.4676480426858814, 5.342880103537928 ], [ 3.3542596412333707, 3.9136381420616333, 4.5781173725772835 ], [ 1.6452651487666299, 3.590433157938366, -0.8205808825772822 ], [ 3.4316901418274295, 7.0364232573141186, -1.585343613537927 ], [ -0.04308771110420688, 2.9012198417379986, 2.802236246756397 ], [ 1.5587063196371325, 6.4264047245192994, 1.9489833965217405 ], [ -0.08474176838886148, 5.87707560086127, 5.408684372203656 ], [ -1.7130473552147651, 5.318676263524983, 0.020355597418630827 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "N", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6, 0.05, 0.35 ]

[ [ 0.16764197, -0.05651696, -0.02829997 ], [ -0.056517, 0.12046636, -0.04247693 ], [ -0.02829989, -0.04247698, 0.1840263 ] ]

-103.815714

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00014369, -0.00050146, -0.00162762 ], [ -0.00012401, 0.00159908, -0.0005906 ], [ 0.0017075, 0.00006054, 0.0000451 ], [ 0, 0, 0 ], [ -0.0017075, -0.00006054, -0.0000451 ], [ 0.00012401, -0.00159908, 0.0005906 ], [ -0.00014369, 0.00050146, 0.00162762 ], [ 0, 0, 0 ], [ -0.00233995, 0.00170848, 0.0013153 ], [ -0.00134065, -0.00122354, 0.00261341 ], [ -0.00140927, -0.00144823, 0.00037642 ], [ 0.00132483, 0.00058575, 0.00145836 ], [ -0.00195245, 0.00150139, -0.00201447 ], [ -0.00014088, 0.00185835, 0.00086707 ], [ 0.00014088, -0.00185835, -0.00086707 ], [ 0.00195245, -0.00150139, 0.00201447 ], [ -0.00132483, -0.00058575, -0.00145836 ], [ 0.00140927, 0.00144823, -0.00037642 ], [ 0.00134065, 0.00122354, -0.00261341 ], [ 0.00233995, -0.00170848, -0.0013153 ] ]

-0.000016

8.558298

pbe

true

291d78e524b64596c38459bf6e42d6a9_148_Pr7N1Cl12

[ "Gd", "In", "Mg", "Sc" ]

6

A2B2CD

GdIn2MgSc2

Gd1 In2 Mg1 Sc2

4

[ 1, 1, 1 ]

3

[ [ 5.123211835, 0, 0 ], [ -2.561605917, 4.436831598, 0 ], [ 0, 0, 6.374259919 ] ]

oqmd-6341994

[ [ 0, 0, 3.18713 ], [ 1.445260166611121e-16, 2.95789, 1.8702 ], [ 2.56161, 1.47894, 4.50406 ], [ 0, 0, 0 ], [ 2.56161, 1.47894, 1.16405 ], [ 1.445260166611121e-16, 2.95789, 5.21021 ] ]

[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Gd", "In", "In", "Mg", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]

[ [ 2.21579677, 0, 0 ], [ 0, 2.21579677, 0 ], [ 0, 0, 2.47066911 ] ]

-26.5296

[ 0.003, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.029501 ], [ 0, 0, -0.029501 ], [ 0, 0, 0 ], [ 0, 0, -0.016912 ], [ 0, 0, 0.016912 ] ]

0.001821

null

pbe

true

8f31c7e78fd58b18d09ae5ae28bd500d_164_Gd1Mg1Sc2In2

[ "Al", "Fe", "N", "Sc" ]

8

A4B2CD

AlFeN2Sc4

Al1 Fe1 N2 Sc4

4

[ 1, 1, 1 ]

3

[ [ 3.175280088, 0, 0 ], [ -1.587640044, 2.74987322, 0 ], [ 0, 0, 13.971959808 ] ]

oqmd-8897967

[ [ 0, 0, 0 ], [ 1.5876400000000002, 0.91662, 6.98598 ], [ 1.0686253530552721e-16, 1.83325, 3.631899999999999 ], [ 1.0686253530552721e-16, 1.83325, 10.34006 ], [ 1.5876400000000002, 0.91662, 2.46015 ], [ 0, 0, 4.99172 ], [ 0, 0, 8.98024 ], [ 1.5876400000000002, 0.91662, 11.51181 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Al", "Fe", "N", "N", "Sc", "Sc", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.125, 0.125, 0.25, 0.5 ]

[ [ 40.52656033, 0, 0 ], [ 0, 40.52656033, 0 ], [ 0, 0, 24.40719434 ] ]

-61.5217

[ 0.002, 1.83, 0.005, 0.004, -0.054, -0.336, -0.336, -0.056 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.047379 ], [ 0, 0, 0.047379 ], [ 0, 0, -0.06368 ], [ 0, 0, -0.037693 ], [ 0, 0, 0.037693 ], [ 0, 0, 0.06368 ] ]

0.730507

null

pbe

true

dc5d3a494bdf2a0bf26b7152f6a5c62f_187_Sc4Al1Fe1N2

[ "Ni", "Pt", "Tl", "Y" ]

4

ABCD

NiPtTlY

Ni1 Pt1 Tl1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.370004, 3.370004 ], [ 3.370004, 0, 3.370004 ], [ 3.370004, 3.370004, 0 ] ]

oqmd-3265479

[ [ 5.055010000000003, 5.055010000000003, 5.055010000000003 ], [ 1.6849999999999992, 1.6849999999999992, 1.6849999999999992 ], [ 0, 0, 0 ], [ 3.3699999999999983, 3.3699999999999983, 3.3699999999999983 ] ]

[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Ni", "Pt", "Tl", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 14.69109, 0, 0 ], [ 0, 14.69109, 0 ], [ 0, 0, 14.69109 ] ]

-22.2591

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.004195

null

pbe

true

849d1f0111fa09920f923306157de170_216_Y1Tl1Ni1Pt1

[ "Al", "Er", "Rh", "Sc", "Si" ]

9

A3B2C2DE

Al3ErRhSc2Si2

Al3 Er1 Rh1 Sc2 Si2

5

[ 1, 1, 1 ]

3

[ [ 4.114124106, 0, 0 ], [ 0, 5.824277998, 3.327619629 ], [ 0, -5.824277998, 3.327619629 ] ]

oqmd-6898436

[ [ 2.05706, 4.4218, 2.5405400000000005 ], [ 2.05706, 2.5535718289612836e-17, 1.5863100000000003 ], [ 2.05706, -4.4218, 2.54054 ], [ 0, 4.0635061451975116e-17, 3.86054 ], [ 0, -5.430560640555747e-19, 0.058600000000000006 ], [ 0, 3.390640000000001, 4.698720000000001 ], [ 0, -3.3906400000000008, 4.698720000000001 ], [ 2.05706, 1.9838099999999996, 3.3185 ], [ 2.05706, -1.9838099999999996, 3.3185 ] ]

[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Al", "Al", "Al", "Er", "Rh", "Sc", "Sc", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.1111111111111111, 0.1111111111111111, 0.2222222222222222, 0.2222222222222222 ]

[ [ 2.90707429, 0, 0 ], [ 0, 3.7089356, 0 ], [ 0, 0, 3.27303214 ] ]

-54.2077

[ 0, 0, 0, -0.001, 0, -0.001, -0.001, 0, 0 ]

[ [ 0, 0.012465, 0.007859 ], [ 0, 0, 0.004653 ], [ 0, -0.012465, 0.007859 ], [ 0, 0, -0.011314 ], [ 0, 0, 0.014897 ], [ 0, -0.005232, -0.009703 ], [ 0, 0.005232, -0.009703 ], [ 0, 0.006299, -0.002273 ], [ 0, -0.006299, -0.002273 ] ]

-0.00998

null

pbe

false

0b1056b80e5ef9e2355c5b8f6bd5bc6e_38_Er1Sc2Al3Si2Rh1

[ "Cs", "Mn", "U" ]

3

ABC

CsMnU

Cs1 Mn1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.331702884, 3.331702884 ], [ 3.331702884, 0, 3.331702884 ], [ 3.331702884, 3.331702884, 0 ] ]

oqmd-7039870

[ [ 0, 0, 0 ], [ 1.66585, 1.66585, 1.66585 ], [ 4.997550000000001, 4.997550000000001, 4.997550000000001 ] ]

[{"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]

[ "Cs", "Mn", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.26354711, 0, 0 ], [ 0, 1.26354711, 0 ], [ 0, 0, 1.26354711 ] ]

-13.4138

[ -0.089, -0.213, -2.19 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-2.85951

null

pbe

false

cb36fa017d0bafb79fe1db3647c4a395_216_Cs1U1Mn1

[ "Ag", "B", "Ir" ]

4

A2BC

AgB2Ir

Ag1 B2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.911317119, 2.911317119 ], [ 2.911317119, 0, 2.911317119 ], [ 2.911317119, 2.911317119, 0 ] ]

oqmd-5561825

[ [ 2.911320000000002, 2.911320000000002, 2.911320000000002 ], [ 0, 0, 0 ], [ 4.366979999999997, 4.366979999999997, 4.366979999999997 ], [ 1.455660000000001, 1.455660000000001, 1.455660000000001 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]

[ "Ag", "B", "B", "Ir" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 6.67846383, 0, 0 ], [ 0, 6.67846383, 0 ], [ 0, 0, 6.67846383 ] ]

-18.6156

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000189

null

pbe

true

8a7bbc22db786e7dad5607472bea4d9c_216_Ag1B2Ir1

[ "Ag", "Pb", "S", "Te", "Yb" ]

12

A2BCDE

AgPbSTe2Yb

Ag1 Pb1 S1 Te2 Yb1

5

[ 1, 1, 1 ]

3

[ [ 2.241219749, -7.561159598, 0 ], [ 2.241219749, 7.561159598, 0 ], [ 0, 0, 9.864161832 ] ]

oqmd-5031631

[ [ 2.24122, -7.555440000000001, 2.4660400000000022 ], [ 2.24122, 7.555440000000001, 7.398119999999997 ], [ 2.24122, 4.1299600000000005, 2.4660400000000022 ], [ 2.24122, -4.1299600000000005, 7.398119999999997 ], [ 2.24122, -1.2997299999999945, 2.4660400000000022 ], [ 2.24122, 1.299729999999994, 7.398119999999997 ], [ 2.24122, -5.338550000000001, 0.7268500000000003 ], [ 2.24122, -5.338550000000001, 4.205230000000005 ], [ 2.24122, 5.338550000000001, 5.658930000000003 ], [ 2.24122, 5.338550000000001, 9.13731 ], [ 2.24122, -1.4895962821141178e-17, 0 ], [ 2.24122, -1.4895962821141178e-17, 4.9320800000000045 ] ]

[{"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}]

[ "Ag", "Ag", "Pb", "Pb", "S", "S", "Te", "Te", "Te", "Te", "Yb", "Yb" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666 ]

[ [ 3.37107475, 0, 0 ], [ 0, 1.39080683, 0 ], [ 0, 0, 1.33985401 ] ]

-45.0259

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.055601, 0 ], [ 0, 0.055601, 0 ], [ 0, -0.074071, 0 ], [ 0, 0.074071, 0 ], [ 0, 0.030479, 0 ], [ 0, -0.030479, 0 ], [ 0, 0.01891, 0.030942 ], [ 0, 0.01891, -0.030942 ], [ 0, -0.01891, 0.030942 ], [ 0, -0.01891, -0.030942 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

a20e4cec7e6ffa0c8df006558d3bb0c2_63_Yb2Ag2Te4Pb2S2

[ "Li", "N", "Zn" ]

3

ABC

LiNZn

Li1 N1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 2.447385, -2.447385, 0 ], [ -2.447385, 0, -2.447385 ], [ 2.447385, 2.447385, 0 ] ]

oqmd-2020969

[ [ 1.2236900000000015, -1.223689999999999, -1.2236899999999988 ], [ 0, 0, 0 ], [ 1.2236900000000013, 1.223689999999999, -1.2236899999999988 ] ]

[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Li", "N", "Zn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 28.76152, 0, 0 ], [ 0, 28.76152, 0 ], [ 0, 0, 28.76152 ] ]

-12.2941

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

true

64660c78c0aeaa86b5b5e3eefce99a0e_216_Li1Zn1N1

[ "As", "Ta", "Ti" ]

4

A2BC

As2TaTi

As2 Ta1 Ti1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.23612342, 3.23612342 ], [ 3.23612342, 0, 3.23612342 ], [ 3.23612342, 3.23612342, 0 ] ]

oqmd-7173020

[ [ 1.61806, 1.61806, 1.61806 ], [ 3.23612, 3.23612, 3.23612 ], [ 0, 0, 0 ], [ 4.854190000000001, 4.854190000000001, 4.854190000000001 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "As", "As", "Ta", "Ti" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 4.8408507, 0, 0 ], [ 0, 4.8408507, 0 ], [ 0, 0, 4.8408507 ] ]

-28.5608

[ -0.011, -0.028, 0.292, 0.583 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.976761

null

pbe

false

b1ad0e3a8ee4c4c85f7a17611b8828ec_216_Ta1Ti1As2

[ "As", "Mo", "Pm" ]

3

ABC

AsMoPm

As1 Mo1 Pm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.43304, 3.43304 ], [ 3.43304, 0, 3.43304 ], [ 3.43304, 3.43304, 0 ] ]

oqmd-3237888

[ [ 1.71652, 1.71652, 1.71652 ], [ 5.14956, 5.14956, 5.14956 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "As", "Mo", "Pm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.11847, 0, 0 ], [ 0, 3.11847, 0 ], [ 0, 0, 3.11847 ] ]

-17.4704

[ 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.64351

null

pbe

true

6971eda80ad68eb60b912d1fd6c8fef3_216_Pm1Mo1As1

[ "Na", "Pr", "Rh" ]

3

ABC

NaPrRh

Na1 Pr1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.413756691, 3.413756691 ], [ 3.413756691, 0, 3.413756691 ], [ 3.413756691, 3.413756691, 0 ] ]

oqmd-4941264

[ [ 0, 0, 0 ], [ 3.4137600000000026, 3.4137600000000026, 3.4137600000000026 ], [ 1.706879999999998, 1.706879999999998, 1.706879999999998 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Na", "Pr", "Rh" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 6.1119558, 0, 0 ], [ 0, 6.1119558, 0 ], [ 0, 0, 6.1119558 ] ]

-13.4724

[ 0.003, 0.024, 0.007 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.106693

null

pbe

false

404aab390f75d9a24856e17702ce68af_216_Na1Pr1Rh1

[ "B", "Br", "Cl" ]

8

A2BC

BBr2Cl

B1 Br2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 6.51854849, 0, 0 ], [ 0, 7.615082786, 0 ], [ -3.237934986, 0, 5.831362671 ] ]

oqmd-8181288

[ [ 0.05393000000000001, 1.90377, 1.94117 ], [ 3.2266800000000004, 5.71131, 3.89019 ], [ 5.517060000000001, 1.90377, 0.34475 ], [ 4.09827, 5.71131, 2.1867 ], [ -0.8176499999999997, 1.90377, 3.64466 ], [ -2.2364399999999995, 5.71131, 5.486609999999999 ], [ 1.7932999999999997, 1.90377, 1.84476 ], [ 1.4873100000000004, 5.71131, 3.9866000000000006 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]

[ "B", "B", "Br", "Br", "Br", "Br", "Cl", "Cl" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ -0.26893728, 0, 0.08692881 ], [ 0, 1.75995473, 0 ], [ 0.08692881, 0, 0.98261594 ] ]

-28.9589

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.030861, 0, 0.000407 ], [ -0.030861, 0, -0.000407 ], [ 0.033504, 0, 0.031952 ], [ -0.035304, 0, 0.033628 ], [ 0.035304, 0, -0.033628 ], [ -0.033504, 0, -0.031952 ], [ -0.110691, 0, 0.006877 ], [ 0.110691, 0, -0.006877 ] ]

null

pbe

false

8b463f0ab572311f2372349d3249399b_11_B2Br4Cl2

[ "As", "Cr", "Mn", "O" ]

8

ABCD

AsCrMnO

As1 Cr1 Mn1 O1

4

[ 1, 1, 1 ]

3

[ [ 3.643722835, 0, 0 ], [ 0, 6.221460319, 0 ], [ 0, 0, 5.817475277 ] ]

oqmd-5540143

[ [ 0, 4.45921, 2.1283900000000027 ], [ 0, 1.762249999999998, 5.037129999999999 ], [ 1.8218599999999991, 3.0805999999999996, 0.6794299999999985 ], [ 1.8218599999999991, 3.1408599999999978, 3.588170000000001 ], [ 0, 0.8101100000000012, 2.334820000000001 ], [ 0, 5.411350000000002, 5.243560000000003 ], [ 1.8218599999999991, 1.7135800000000003, 2.1524600000000027 ], [ 1.8218599999999991, 4.507880000000003, 5.061199999999999 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "As", "As", "Cr", "Cr", "Mn", "Mn", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 20.90641705, 0, 0 ], [ 0, 19.31754916, 0 ], [ 0, 0, 14.48206453 ] ]

-55.5435

[ -0.223, -0.224, 3.51, 3.519, 4.524, 4.521, -0.001, -0.001 ]

[ [ 0, -0.01815, 0.007511 ], [ 0, 0.01815, 0.007511 ], [ 0, 0.021176, 0.010544 ], [ 0, -0.021176, 0.010544 ], [ 0, 0.032781, -0.029931 ], [ 0, -0.032781, -0.029931 ], [ 0, -0.02043, 0.011876 ], [ 0, 0.02043, 0.011876 ] ]

16.0408

null

pbe

false

ea8cf303680e939a2c8893e1bffd625c_26_Mn2Cr2As2O2

[ "B", "Li", "Sc" ]

24

A4BC

B4LiSc

B4 Li1 Sc1

3

[ 1, 1, 1 ]

3

[ [ 5.777434942, 0, 0 ], [ 0, 11.159501919, 0 ], [ 0, 0, 3.386986419 ] ]

oqmd-7966696

[ [ 2.1202, 0.34143, 1.6934900000000002 ], [ 5.10899, 0.54661, 1.6934900000000002 ], [ 1.66959, 2.07793, 1.6934900000000002 ], [ 5.624410000000001, 2.17475, 1.6934900000000002 ], [ 2.7357, 3.405, 1.6934900000000002 ], [ 4.55831, 3.5018199999999995, 1.6934900000000002 ], [ 2.22028, 5.03314, 1.6934900000000002 ], [ 5.00892, 5.238320000000001, 1.6934900000000002 ], [ 0.7685200000000001, 5.921179999999999, 1.6934900000000002 ], [ 3.55716, 6.12636, 1.6934900000000002 ], [ 1.21913, 7.65768, 1.6934900000000002 ], [ 3.0417400000000003, 7.754499999999999, 1.6934900000000002 ], [ 0.15302, 8.98475, 1.6934900000000002 ], [ 4.107840000000001, 9.08157, 1.6934900000000002 ], [ 0.6684400000000001, 10.612890000000002, 1.6934900000000002 ], [ 3.6572300000000006, 10.81807, 1.6934900000000002 ], [ 0.75178, 0.9548, 0 ], [ 3.6405, 4.624949999999999, 0 ], [ 2.13694, 6.53455, 0 ], [ 5.02565, 10.2047, 0 ], [ 3.607260000000001, 1.6868399999999997, 0 ], [ 0.71855, 3.89291, 0 ], [ 5.05889, 7.26659, 0 ], [ 2.1701700000000006, 9.47266, 0 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B", "Li", "Li", "Li", "Li", "Sc", "Sc", "Sc", "Sc" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 11.51726101, 0, 0 ], [ 0, 13.30200678, 0 ], [ 0, 0, 7.50079942 ] ]

-149.725

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0 ]

[ [ 0.030147, -0.01338, 0 ], [ 0.038953, -0.018912, 0 ], [ -0.012588, -0.003282, 0 ], [ 0.01818, 0.010964, 0 ], [ 0.01818, -0.010964, 0 ], [ -0.012588, 0.003282, 0 ], [ 0.038953, 0.018912, 0 ], [ 0.030147, 0.01338, 0 ], [ -0.030147, -0.01338, 0 ], [ -0.038953, -0.018912, 0 ], [ 0.012588, -0.003282, 0 ], [ -0.01818, 0.010964, 0 ], [ -0.01818, -0.010964, 0 ], [ 0.012588, 0.003282, 0 ], [ -0.038953, 0.018912, 0 ], [ -0.030147, 0.01338, 0 ], [ -0.006827, -0.011114, 0 ], [ -0.006827, 0.011114, 0 ], [ 0.006827, -0.011114, 0 ], [ 0.006827, 0.011114, 0 ], [ 0.005009, 0.029747, 0 ], [ 0.005009, -0.029747, 0 ], [ -0.005009, 0.029747, 0 ], [ -0.005009, -0.029747, 0 ] ]

0.032151

null

pbe

false

0edbf42b21387ebcca95deb41e501da7_55_Li4Sc4B16

[ "B", "Rb", "Re" ]

6

A4BC

B4RbRe

B4 Rb1 Re1

3

[ 1, 1, 1 ]

3

[ [ -1.498318085, 2.883708259, 3.803800765 ], [ 1.498318085, -2.883708259, 3.803800765 ], [ 1.498318085, 2.883708259, -3.803800765 ] ]

oqmd-8036420

[ [ 5.676676225597416e-17, 2.01368, 1.71887 ], [ 1.49832, -0.8700299999999999, 2.08493 ], [ 5.3735189355051935e-17, 3.753740000000001, 1.7188700000000008 ], [ 1.49832, 0.8700300000000003, 2.08493 ], [ 0, 0, 0 ], [ -4.5174678651871205e-17, 1.5231849574211133e-17, 3.8038 ] ]

[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]

[ "B", "B", "B", "B", "Rb", "Re" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 9.60444572, 0, 0 ], [ 0, 7.18070294, 0 ], [ 0, 0, 12.7321346 ] ]

-34.3523

[ 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.054323, -0.006045 ], [ 0, 0.054323, 0.006045 ], [ 0, -0.054323, -0.006045 ], [ 0, -0.054323, 0.006045 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000114

null

pbe

true

5ff0a50af5f9c806fa041d83b2e84b53_71_Rb1Re1B4

[ "Dy", "I", "P" ]

5

A2B2C

Dy2I2P

Dy2 I2 P1

3

[ 1, 1, 1 ]

3

[ [ 4.105580183, 0, 0 ], [ -2.052790092, 3.555536736, 0 ], [ 0, 0, 11.3913 ] ]

oqmd-5372705

[ [ 2.0527899999999986, 1.18518, 1.4797299999999989 ], [ -1.6153908891471633e-15, 2.37036, 9.91157 ], [ -1.6153908891471633e-15, 2.37036, 3.530619999999999 ], [ 2.0527899999999986, 1.18518, 7.86068 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Dy", "Dy", "I", "I", "P" ]

2024-11-01 00:00:00

[ 0.4, 0.4, 0.2 ]

[ [ 0.00582356, 0, 0 ], [ 0, 0.00582356, 0 ], [ 0, 0, 0.73635124 ] ]

-25.3384

[ -0.001, -0.001, 0, 0, 0 ]

[ [ 0, 0, 0.005922 ], [ 0, 0, -0.005922 ], [ 0, 0, -0.002865 ], [ 0, 0, 0.002865 ], [ 0, 0, 0 ] ]

-0.018544

null

pbe

true

ef81cca895ac218d7c33003a2c6e1a68_164_Dy2P1I2

[ "Dy", "Ni", "Pr" ]

12

A9B2C

DyNi9Pr2

Dy1 Ni9 Pr2

3

[ 1, 1, 1 ]

3

[ [ 2.489752568, 1.437459315, 8.239229934 ], [ -2.489752568, 1.437459315, 8.239229934 ], [ 0, -2.874918631, 8.239229934 ] ]

oqmd-6146291

[ [ 0, 0, 0 ], [ 4.125820834629642e-17, 1.42976, 10.205890000000002 ], [ 3.7066685703647586e-17, -3.405562154121373e-17, 8.225020000000002 ], [ 1.23821, 0.7148799999999997, 14.5118 ], [ -1.2382099999999998, 0.7148799999999995, 14.5118 ], [ 6.649095147781637e-18, -1.4308193968205792e-16, 12.35884 ], [ 1.23821, -0.71488, 10.20589 ], [ -1.23821, -0.7148800000000002, 10.205890000000002 ], [ -1.0985920350272771e-16, -1.8499975317326682e-16, 16.49267 ], [ -3.028423682860896e-18, -1.4297599999999997, 14.5118 ], [ 4.5232483672461976e-18, 3.193479341658738e-17, 3.42174 ], [ -1.192335529635117e-16, -4.4180749204508446e-16, 21.29595 ] ]

[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}]

[ "Dy", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.08333333333333333, 0.75, 0.16666666666666666 ]

[ [ 37.48011245, 0, 0 ], [ 0, 37.48011245, 0 ], [ 0, 0, 43.94015061 ] ]

-68.1248

[ 0.027, -0.081, -0.093, -0.071, -0.092, -0.018, -0.092, -0.071, -0.093, -0.081, 0.017, 0.017 ]

[ [ 0, 0, 0 ], [ 0, 0.049804, 0.015435 ], [ 0, 0, -0.019181 ], [ 0.043132, 0.024902, -0.015435 ], [ -0.043132, 0.024902, -0.015435 ], [ 0, 0, 0 ], [ 0.043132, -0.024902, 0.015435 ], [ -0.043132, -0.024902, 0.015435 ], [ 0, 0, 0.019181 ], [ 0, -0.049804, -0.015435 ], [ 0, 0, -0.058179 ], [ 0, 0, 0.058179 ] ]

-0.567452

null

pbe

true

c2a965d2fa441aff1972872c366a7455_166_Pr2Dy1Ni9

[ "As", "O", "Sn", "Ti" ]

8

ABCD

AsOSnTi

As1 O1 Sn1 Ti1

4

[ 1, 1, 1 ]

3

[ [ 4.171963, 0, 0 ], [ 0, 4.171963, 0 ], [ 0, 0, 8.589993 ] ]

oqmd-3149558

[ [ 3.1289799999999985, 3.1289799999999985, 2.8740199999999994 ], [ 1.043, 1.043, 5.715969999999998 ], [ 3.1289799999999985, 1.043, 0 ], [ 1.043, 3.1289799999999985, 0 ], [ 1.043, 1.043, 1.022749999999999 ], [ 3.1289799999999985, 3.1289799999999985, 7.567259999999997 ], [ 3.1289799999999985, 1.043, 4.294989999999997 ], [ 1.043, 3.1289799999999985, 4.294989999999997 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "As", "As", "O", "O", "Sn", "Sn", "Ti", "Ti" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 16.07925, 0, 0 ], [ 0, 16.07925, 0 ], [ 0, 0, 5.04782 ] ]

-48.7031

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.024282 ], [ 0, 0, -0.024282 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.084532 ], [ 0, 0, -0.084532 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.009831

null

pbe

false

041300b54bef90d25f177f9489ad5a81_129_Ti2Sn2As2O2

[ "Nd", "Pb", "Tm" ]

16

A3B3C2

Nd3Pb3Tm2

Nd3 Pb3 Tm2

3

[ 1, 1, 1 ]

3

[ [ 9.219570362, 0, 0 ], [ -4.609785181, 7.984382146, 0 ], [ 0, 0, 6.694379117 ] ]

oqmd-9461958

[ [ 2.2169, 0, 1.67359 ], [ -1.1084490082409055, 1.9198900000000003, 1.67359 ], [ 3.501340000000001, 6.06449, 1.67359 ], [ 7.00267, 0, 5.02078 ], [ 1.10845, 1.9198900000000003, 5.02078 ], [ -3.501334933765418, 6.06449, 5.02078 ], [ 5.54647, 0, 1.67359 ], [ 1.83655, 3.181, 1.67359 ], [ -2.7732327358360114, 4.80338, 1.67359 ], [ 3.6731, 0, 5.02078 ], [ -1.836551206170312, 3.181, 5.02078 ], [ 2.7732299999999994, 4.80338, 5.02078 ], [ 4.609790000000001, 2.6614600000000004, 0 ], [ -1.9173773826333815e-16, 5.322920000000001, 0 ], [ 4.609790000000001, 2.6614600000000004, 3.34719 ], [ -1.9173773826333815e-16, 5.322920000000001, 3.34719 ] ]

[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Tm", "Tm", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.375, 0.375, 0.25 ]

[ [ 4.612777, 0, 0 ], [ 0, 4.612777, 0 ], [ 0, 0, 4.93010029 ] ]

-77.2638

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0.001, 0.001 ]

[ [ -0.023256, 0, 0 ], [ 0.011628, -0.02014, 0 ], [ 0.011628, 0.02014, 0 ], [ 0.023256, 0, 0 ], [ -0.011628, -0.02014, 0 ], [ -0.011628, 0.02014, 0 ], [ -0.004497, 0, 0 ], [ 0.002249, 0.003895, 0 ], [ 0.002249, -0.003895, 0 ], [ 0.004497, 0, 0 ], [ -0.002249, 0.003895, 0 ], [ -0.002249, -0.003895, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.01617

null

pbe

true

a796facadcf579e068bb15489ccf17cc_193_Nd6Tm4Pb6

[ "Ir", "Pd", "Sr" ]

4

A2BC

IrPd2Sr

Ir1 Pd2 Sr1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.340558474, 3.340558474 ], [ 3.340558474, 0, 3.340558474 ], [ 3.340558474, 3.340558474, 0 ] ]

oqmd-5502515

[ [ 1.6702799999999975, 1.6702799999999975, 1.6702799999999975 ], [ 0, 0, 0 ], [ 5.01084, 5.01084, 5.01084 ], [ 3.3405600000000018, 3.3405600000000018, 3.3405600000000018 ] ]

[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Ir", "Pd", "Pd", "Sr" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 20.82241003, 0, 0 ], [ 0, 20.82241003, 0 ], [ 0, 0, 20.82241003 ] ]

-20.1195

[ 0.596, 0.208, 0.055, -0.009 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.823447

null

pbe

true

5a2b32337c7db8873717e411b34de1f1_216_Sr1Ir1Pd2