LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Hg", "O", "P", "Pr" ]

8

ABCD

HgOPPr

Hg1 O1 P1 Pr1

4

[ 1, 1, 1 ]

3

[ [ 4.35176125, 0, 0 ], [ 0, 7.10114823, 0 ], [ 0, 0, 6.131754585 ] ]

oqmd-5269852

[ [ 0, 4.64437, 2.730569999999999 ], [ 0, 2.4567800000000037, 5.796450000000003 ], [ 0, 2.295250000000002, 2.6764100000000015 ], [ 0, 4.805900000000002, 5.74229 ], [ 2.1758800000000016, 5.760270000000004, 2.6689799999999972 ], [ 2.1758800000000016, 1.3408799999999996, 5.734860000000001 ], [ 2.1758800000000016, 1.5617900000000011, 2.6791099999999983 ], [ 2.1758800000000016, 5.539360000000002, 5.744990000000002 ] ]

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

[ "Hg", "Hg", "O", "O", "P", "P", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 12.33975804, 0, 0 ], [ 0, 11.91430591, 0 ], [ 0, 0, 9.55794161 ] ]

-41.0067

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

[ [ 0, 0.030105, -0.025211 ], [ 0, -0.030105, -0.025211 ], [ 0, -0.035738, 0.002535 ], [ 0, 0.035738, 0.002535 ], [ 0, -0.025021, 0.029577 ], [ 0, 0.025021, 0.029577 ], [ 0, 0.020319, -0.006902 ], [ 0, -0.020319, -0.006902 ] ]

-0.000886

null

pbe

true

0b38d0b0c5fdcd58b7eeeea661fafd82_26_Pr2Hg2P2O2

[ "Al", "Co" ]

2

AB

AlCo

Al1 Co1

2

[ 1, 1, 1 ]

3

[ [ 1.34643, 0.777362, 3.863765 ], [ -1.34643, 0.777362, 3.863765 ], [ 0, -1.554724, 3.863765 ] ]

oqmd-2649994

[ [ 0, 0, 0 ], [ -3.470001047423643e-17, -4.88875639857221e-17, 5.79564 ] ]

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

[ "Al", "Co" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 31.45083, 0, 0 ], [ 0, 31.45085, 0 ], [ 0, 0, 23.41352 ] ]

-11.3492

[ 0, 0 ]

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

0.670255

null

pbe

true

6aba61b49c3c64fe860edb9528016ea3_166_Al1Co1

[ "Np", "Y", "Zr" ]

3

ABC

NpYZr

Np1 Y1 Zr1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.450258742, 3.450258742 ], [ 3.450258742, 0, 3.450258742 ], [ 3.450258742, 3.450258742, 0 ] ]

oqmd-6925121

[ [ 1.7251300000000005, 1.7251300000000005, 1.7251300000000005 ], [ 0, 0, 0 ], [ 5.17539, 5.17539, 5.17539 ] ]

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

[ "Np", "Y", "Zr" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 48.08864953, 0, 0 ], [ 0, 48.08864953, 0 ], [ 0, 0, 48.08864953 ] ]

-23.6995

[ 3.999, 0.333, 0.349 ]

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

5.27997

null

pbe

true

5cec504f9343983e486b4a634efbb41d_216_Y1Zr1Np1

[ "Ag", "Er", "Pb", "Te" ]

24

A3BCD

AgErPbTe3

Ag1 Er1 Pb1 Te3

4

[ 1, 1, 1 ]

3

[ [ 11.281121121, 0, 0 ], [ 0, 4.346541994, 0 ], [ 0, 0, 14.690889554 ] ]

oqmd-7714660

[ [ 8.57172, 1.08664, 3.2351400000000003 ], [ 2.93116, 1.08664, 4.1103 ], [ 8.34997, 3.2599100000000005, 10.58059 ], [ 2.70941, 3.2599100000000005, 11.45575 ], [ 5.874390000000001, 3.2599100000000005, 3.56572 ], [ 0.23383, 3.2599100000000005, 3.7797200000000006 ], [ 11.0473, 1.08664, 10.91117 ], [ 5.406740000000001, 1.08664, 11.12517 ], [ 8.78153, 3.2599100000000005, 0.21154 ], [ 3.14097, 3.2599100000000005, 7.133900000000001 ], [ 8.14016, 1.08664, 7.556989999999999 ], [ 2.4996, 1.08664, 14.47935 ], [ 6.44577, 1.08664, 1.4655700000000005 ], [ 10.897109999999998, 1.08664, 1.63299 ], [ 3.0113500000000006, 3.2599100000000005, 2.30491 ], [ 8.65192, 3.2599100000000005, 5.04053 ], [ 5.25655, 1.08664, 5.71245 ], [ 0.80521, 1.08664, 5.87987 ], [ 10.475920000000002, 3.2599100000000005, 8.81102 ], [ 6.02458, 3.2599100000000005, 8.97844 ], [ 2.62921, 1.08664, 9.65036 ], [ 8.26977, 1.08664, 12.38598 ], [ 0.38402, 3.2599100000000005, 13.0579 ], [ 4.83536, 3.2599100000000005, 13.22532 ] ]

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

[ "Ag", "Ag", "Ag", "Ag", "Er", "Er", "Er", "Er", "Pb", "Pb", "Pb", "Pb", "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 ]

[ [ 5.34801261, 0, 0 ], [ 0, 5.21330097, 0 ], [ 0, 0, 5.00785136 ] ]

-99.0804

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

[ [ -0.00148, 0, 0.032317 ], [ -0.00148, 0, -0.032317 ], [ 0.00148, 0, 0.032317 ], [ 0.00148, 0, -0.032317 ], [ 0.008321, 0, 0.001723 ], [ 0.008321, 0, -0.001723 ], [ -0.008321, 0, 0.001723 ], [ -0.008321, 0, -0.001723 ], [ -0.005056, 0, 0.009496 ], [ -0.005056, 0, -0.009496 ], [ 0.005056, 0, 0.009496 ], [ 0.005056, 0, -0.009496 ], [ 0.006006, 0, 0.03263 ], [ -0.003633, 0, -0.016385 ], [ 0.006535, 0, -0.009825 ], [ 0.006535, 0, 0.009825 ], [ -0.003633, 0, 0.016385 ], [ 0.006006, 0, -0.03263 ], [ -0.006006, 0, 0.03263 ], [ 0.003633, 0, -0.016385 ], [ -0.006535, 0, -0.009825 ], [ -0.006535, 0, 0.009825 ], [ 0.003633, 0, 0.016385 ], [ -0.006006, 0, -0.03263 ] ]

0.013991

null

pbe

true

070f4dcf6264165eb95f2295e47dc7f2_62_Er4Ag4Te12Pb4

[ "Ag", "N", "O", "Tl" ]

16

ABCD

AgNOTl

Ag1 N1 O1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 5.911242, 0, 0 ], [ 0, 6.009615, 0 ], [ 0, 0, 7.42274 ] ]

oqmd-4526939

[ [ 5.833179999999999, 0.8490499999999973, 2.743790000000001 ], [ 2.8775600000000026, 2.155759999999999, 2.743790000000001 ], [ 5.833179999999999, 3.85386, 4.67894 ], [ 2.8775600000000026, 5.160570000000002, 4.67894 ], [ 3.558839999999999, 3.2573599999999985, 0.9910800000000008 ], [ 0.603219999999997, 5.757069999999997, 0.9910800000000008 ], [ 3.558839999999999, 0.25253999999999965, 6.43166 ], [ 0.603219999999997, 2.75226, 6.43166 ], [ 3.78347, 0.15962000000000023, 2.8043999999999993 ], [ 0.8278400000000008, 2.845180000000001, 2.8043999999999993 ], [ 3.78347, 3.1644300000000003, 4.61835 ], [ 0.8278400000000008, 5.8500000000000005, 4.61835 ], [ 5.754669999999997, 3.639460000000002, 0.9583200000000022 ], [ 2.799050000000001, 5.374959999999996, 0.9583200000000022 ], [ 5.754669999999997, 0.6346600000000027, 6.464419999999998 ], [ 2.799050000000001, 2.370160000000003, 6.464419999999998 ] ]

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

[ "Ag", "Ag", "Ag", "Ag", "N", "N", "N", "N", "O", "O", "O", "O", "Tl", "Tl", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 31.4429, 0, 0 ], [ 0, 32.1464, 0 ], [ 0, 0, 26.51542 ] ]

-64.8003

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

[ [ 0.02418, -0.034132, -0.004976 ], [ 0.02418, 0.034132, -0.004976 ], [ 0.02418, -0.034132, 0.004976 ], [ 0.02418, 0.034132, 0.004976 ], [ 0.011195, 0.048859, 0.018883 ], [ 0.011195, -0.048859, 0.018883 ], [ 0.011195, 0.048859, -0.018883 ], [ 0.011195, -0.048859, -0.018883 ], [ -0.032299, 0.027996, 0.014395 ], [ -0.032299, -0.027996, 0.014395 ], [ -0.032299, 0.027996, -0.014395 ], [ -0.032299, -0.027996, -0.014395 ], [ -0.003076, 0.001337, -0.01335 ], [ -0.003076, -0.001337, -0.01335 ], [ -0.003076, 0.001337, 0.01335 ], [ -0.003076, -0.001337, 0.01335 ] ]

null

pbe

true

147d05a6ef8e88aa2ea3d57936fbd69a_29_Tl4Ag4N4O4

[ "Br", "Cs", "Ga", "Hg" ]

10

A6B2CD

Br6Cs2GaHg

Br6 Cs2 Ga1 Hg1

4

[ 1, 1, 1 ]

3

[ [ 3.947994821, 2.279375873, 6.449540556 ], [ -3.947994821, 2.279375873, 6.449540556 ], [ 0, -4.558751745, 6.449540556 ] ]

oqmd-6795858

[ [ 2.0498999999999996, 1.2568599999999996, 7.969820000000001 ], [ -0.0650000000000005, 2.4029699999999994, 11.371700000000002 ], [ -2.1134200000000005, 1.1468399999999996, 7.969820000000001 ], [ 2.1135299999999995, -1.1451900000000002, 11.371700000000002 ], [ 0.06351999999999978, -2.4036999999999997, 7.96982 ], [ -2.04853, -1.2577800000000006, 11.371700000000002 ], [ -4.831393226791493e-17, -5.0142743477669795e-17, 4.837070000000001 ], [ -3.551767343072566e-16, -4.9230325995165736e-17, 14.50425 ], [ -1.0733438926877091e-15, -7.67786740989446e-17, 19.34373 ], [ -1.7780225934801488e-16, -4.547854916987436e-16, 9.66889 ] ]

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

[ "Br", "Br", "Br", "Br", "Br", "Br", "Cs", "Cs", "Ga", "Hg" ]

2024-11-01 00:00:00

[ 0.6, 0.2, 0.1, 0.1 ]

[ [ 1.28597773, 2e-8, 0 ], [ 2e-8, 1.28597773, 0 ], [ 0, 0, 1.12369892 ] ]

-25.9437

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

[ [ 0.023367, -0.003806, -0.011676 ], [ 0.016386, 0.019089, 0.011172 ], [ -0.008388, 0.022139, -0.011676 ], [ 0.008339, -0.023735, 0.011172 ], [ -0.014979, -0.018334, -0.011676 ], [ -0.024724, 0.004646, 0.011172 ], [ 0, 0, -0.002691 ], [ 0, 0, 0.002876 ], [ 0, 0, -0.000571 ], [ 0, 0, 0.001898 ] ]

null

pbe

true

fab90924ef7e2f777866cef6382648e0_148_Cs2Ga1Hg1Br6

[ "Gd", "S", "Tl", "Zn" ]

12

A3BCD

GdS3TlZn

Gd1 S3 Tl1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 8.063934875, 0, 0 ], [ 0, 4.002257408, 0 ], [ -3.31941062, 0, 9.764560885 ] ]

oqmd-5602790

[ [ 5.121399999999998, 1.0005600000000014, 1.3452400000000018 ], [ -0.3768699999999957, 3.0016900000000013, 8.419319999999997 ], [ 3.2023000000000006, 3.0016900000000013, 1.36122 ], [ 6.989359999999999, 3.0016900000000013, 1.6629900000000026 ], [ 4.881150000000005, 1.0005600000000014, 4.2683599999999995 ], [ -0.13662999999999847, 3.0016900000000013, 5.496210000000003 ], [ -2.2448299999999985, 1.0005600000000014, 8.101569999999997 ], [ 1.542230000000001, 1.0005600000000014, 8.40334 ], [ 1.2402899999999997, 1.0005600000000014, 2.7906899999999992 ], [ 3.5042300000000033, 3.0016900000000013, 6.973870000000001 ], [ 6.155869999999998, 3.0016900000000013, 3.830580000000001 ], [ -1.4113499999999997, 1.0005600000000014, 5.933979999999998 ] ]

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

[ "Gd", "Gd", "S", "S", "S", "S", "S", "S", "Tl", "Tl", "Zn", "Zn" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 4.3695024, 0, -0.3076961 ], [ 0, 4.59638369, 0 ], [ -0.3076961, 0, 4.29732047 ] ]

-55.7363

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

[ [ 0.009327, 0, -0.010488 ], [ -0.009327, 0, 0.010488 ], [ -0.004717, 0, -0.041933 ], [ 0.01904, 0, 0.001992 ], [ 0.02658, 0, -0.016581 ], [ -0.02658, 0, 0.016581 ], [ -0.01904, 0, -0.001992 ], [ 0.004717, 0, 0.041933 ], [ 0.005271, 0, 0.007702 ], [ -0.005271, 0, -0.007702 ], [ 0.023197, 0, 0.017489 ], [ -0.023197, 0, -0.017489 ] ]

0.002974

null

pbe

true

12676a865c1e08965b513a30587455ca_11_Gd2Tl2Zn2S6

[ "Ag", "Pb", "Se", "Tb", "Te" ]

12

A2BCDE

AgPbSe2TbTe

Ag1 Pb1 Se2 Tb1 Te1

5

[ 1, 1, 1 ]

3

[ [ 2.093201977, -7.10886617, 0 ], [ 2.093201977, 7.10886617, 0 ], [ 0, 0, 11.246812249 ] ]

oqmd-7566416

[ [ 2.0931999999999995, -6.721359999999999, 2.8116999999999996 ], [ 2.0931999999999995, 6.721359999999999, 8.43511 ], [ 2.0932, 3.0729999999999995, 2.8116999999999996 ], [ 2.0932, -3.0729999999999995, 8.43511 ], [ 2.0932, -5.183569999999999, 0.65873 ], [ 2.0932, -5.183569999999999, 4.96467 ], [ 2.0932, 5.183569999999999, 6.28214 ], [ 2.0932, 5.183569999999999, 10.58808 ], [ 2.0932, -1.4199557295630224e-16, 0 ], [ 2.0932, -1.4199557295630224e-16, 5.62341 ], [ 2.0932, -1.4895799999999997, 2.8116999999999996 ], [ 2.0932, 1.48958, 8.43511 ] ]

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

[ "Ag", "Ag", "Pb", "Pb", "Se", "Se", "Se", "Se", "Tb", "Tb", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]

[ [ 4.16656818, 0, 0 ], [ 0, 3.94816753, 0 ], [ 0, 0, 5.30867617 ] ]

-53.1305

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

[ [ 0, -0.014692, 0 ], [ 0, 0.014692, 0 ], [ 0, 0.001934, 0 ], [ 0, -0.001934, 0 ], [ 0, -0.006289, 0.020152 ], [ 0, -0.006289, -0.020152 ], [ 0, 0.006289, 0.020152 ], [ 0, 0.006289, -0.020152 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.006573, 0 ], [ 0, 0.006573, 0 ] ]

-0.001246

null

pbe

true

bc249c5ede1a2716bd611d794fd524db_63_Tb2Ag2Te2Pb2Se4

[ "Ta", "W" ]

12

A5B

TaW5

Ta1 W5

2

[ 1, 1, 1 ]

3

[ [ 5.222977656, 0, 0 ], [ -2.611488828, 4.523231333, 0 ], [ 0, 0, 8.743941475 ] ]

oqmd-8180446

[ [ 0, 0, 0 ], [ 0, 0, 4.371969999999999 ], [ 6.745968263780919e-17, 3.01549, 0.36858 ], [ 1.3331, 0.76967, 2.18599 ], [ 3.88988, 0.76967, 2.18599 ], [ 2.61149, 2.9839, 2.18599 ], [ 6.745968263780919e-17, 3.01549, 4.00339 ], [ 2.611489999999999, 1.50774, 4.74055 ], [ 5.016039749443699e-17, 1.53933, 6.55796 ], [ -1.27839, 3.75356, 6.55796 ], [ 1.27839, 3.75356, 6.55796 ], [ 2.611489999999999, 1.50774, 8.37536 ] ]

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

[ "Ta", "Ta", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.8333333333333334 ]

[ [ 17.54798769, 0, 0 ], [ 0, 17.54798769, 0 ], [ 0, 0, 19.96369328 ] ]

-147.644

[ 0, 0.001, 0.003, 0.001, 0, 0, 0.003, 0.003, 0, 0, 0.001, 0.003 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.060386 ], [ 0.01188, 0.006859, 0 ], [ -0.01188, 0.006859, 0 ], [ 0, -0.013718, 0 ], [ 0, 0, -0.060386 ], [ 0, 0, 0.060386 ], [ 0, 0.013718, 0 ], [ 0.01188, -0.006859, 0 ], [ -0.01188, -0.006859, 0 ], [ 0, 0, -0.060386 ] ]

0.03181

null

pbe

true

543f6776b26f4cabe20b020d4a51fd5c_194_Ta2W10

[ "Cs", "O", "P", "Ta" ]

8

ABCD

CsOPTa

Cs1 O1 P1 Ta1

4

[ 1, 1, 1 ]

3

[ [ 4.404563526, 0, 0 ], [ 0, 4.404563526, 0 ], [ 0, 0, 10.151586125 ] ]

oqmd-9592239

[ [ 0, 0, 5.07579 ], [ 2.20228, 2.20228, 5.07579 ], [ 0, 0, 0 ], [ 2.20228, 2.20228, 0 ], [ 0, 2.20228, 2.483 ], [ 2.20228, 0, 7.668589999999999 ], [ 0, 2.20228, 0.25443 ], [ 2.20228, 0, 9.89716 ] ]

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

[ "Cs", "Cs", "O", "O", "P", "P", "Ta", "Ta" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 10.89984172, 0, 0 ], [ 0, 10.89984172, 0 ], [ 0, 0, 12.90288877 ] ]

-50.166

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.029318 ], [ 0, 0, -0.029318 ], [ 0, 0, -0.002568 ], [ 0, 0, 0.002568 ] ]

-0.002474

null

pbe

true

42ac5e25e7c0ce803d806700e58301fe_129_Cs2Ta2P2O2

[ "Cd", "O", "W" ]

10

A3BC

CdO3W

Cd1 O3 W1

3

[ 1, 1, 1 ]

3

[ [ 3.13891, -1.812251, -4.062611 ], [ -3.13891, -1.812251, -4.062611 ], [ 0, 3.624499, -4.062611 ] ]

oqmd-2614695

[ [ 0, 0, 0 ], [ 4.160559457309057e-17, 1.0230657393644639e-16, -6.093919999999995 ], [ 0.9012500000000008, -2.06349, -5.078270000000001 ], [ -1.3364100000000017, -1.8122600000000009, -7.109569999999999 ], [ -2.2376700000000014, 0.2512500000000002, -5.07827 ], [ 2.2376699999999987, -0.2512599999999994, -7.109570000000002 ], [ 1.3364100000000003, 1.8122499999999984, -5.078269999999998 ], [ -0.9012500000000008, 2.0634899999999967, -7.109569999999999 ], [ 1.944007151458332e-17, 6.624545171659678e-16, -3.046950000000002 ], [ -4.9976636374841764e-17, 8.549389007664413e-16, -9.140869999999998 ] ]

[{"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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Cd", "Cd", "O", "O", "O", "O", "O", "O", "W", "W" ]

2024-11-01 00:00:00

[ 0.2, 0.6, 0.2 ]

[ [ 65.88424, 0, 0 ], [ 0, 65.8842, 0.00001 ], [ 0, 0.00001, 46.89858 ] ]

-69.8044

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.010015, 0.017346, 0 ], [ 0.02003, 0, 0 ], [ 0.010015, -0.017346, 0 ], [ -0.010015, 0.017346, 0 ], [ -0.02003, 0, 0 ], [ -0.010015, -0.017346, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00012

null

pbe

false

671450edc5910b4c940f0014fc56ef0f_167_Cd2W2O6

[ "B", "Co", "Dy", "Ir", "N" ]

8

A2B2C2DE

B2CoDy2IrN2

B2 Co1 Dy2 Ir1 N2

5

[ 1, 1, 1 ]

3

[ [ 3.58020311, 0, 0 ], [ 0, 3.58020311, 0 ], [ 0, 0, 7.540327495 ] ]

oqmd-6632314

[ [ 1.7901, 0, 2.58919 ], [ 0, 1.7901, 4.95113 ], [ 0, 0, 3.77016 ], [ 0, 1.7901, 1.22985 ], [ 1.7901, 0, 6.31047 ], [ 1.7901, 1.7901, 3.77016 ], [ 1.7901, 0, 1.08185 ], [ 0, 1.7901, 6.45847 ] ]

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

[ "B", "B", "Co", "Dy", "Dy", "Ir", "N", "N" ]

2024-11-01 00:00:00

[ 0.25, 0.125, 0.25, 0.125, 0.25 ]

[ [ 12.22543697, 0, 0 ], [ 0, 12.22543697, 0 ], [ 0, 0, 6.90738508 ] ]

-64.4198

[ 0, 0, 0.004, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.042536 ], [ 0, 0, 0.042536 ], [ 0, 0, 0 ], [ 0, 0, 0.001462 ], [ 0, 0, -0.001462 ], [ 0, 0, 0 ], [ 0, 0, 0.096773 ], [ 0, 0, -0.096773 ] ]

-0.003108

null

pbe

true

f3eb2b6f6be9713855ea612a5e0b60f7_115_Dy2Co1B2Ir1N2

[ "Hg", "Mg", "Np" ]

3

ABC

HgMgNp

Hg1 Mg1 Np1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.487179, 3.487179 ], [ 3.487179, 0, 3.487179 ], [ 3.487179, 3.487179, 0 ] ]

oqmd-3378457

[ [ 1.7435900000000033, 1.7435900000000033, 1.7435900000000033 ], [ 0, 0, 0 ], [ 5.230770000000003, 5.230770000000003, 5.230770000000003 ] ]

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

[ "Hg", "Mg", "Np" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -23.74352, 0, 0 ], [ 0, -23.74352, 0 ], [ 0, 0, -23.74352 ] ]

-12.5103

[ 0, 0, 0 ]

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

5.21726

null

pbe

true

174c2993992907b8d98c0b52d7843486_216_Mg1Np1Hg1

[ "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-5536698

[ [ 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

[ "C", "Ce", "Pr", "Rh" ]

8

A4B2CD

C4CePrRh2

C4 Ce1 Pr1 Rh2

4

[ 1, 1, 1 ]

3

[ [ 3.957226114, 0, 0 ], [ -0.015376464, 3.966810606, 0 ], [ -1.165144577, -1.15095863, 7.700284773 ] ]

oqmd-9096740

[ [ 0.27309000000000005, 1.71763, 2.15103 ], [ 1.0571000000000002, 1.74452, 3.2598 ], [ 1.120800000000001, -0.2991500000000002, 6.01073 ], [ 1.14269, 0.4969399999999999, 7.113180000000001 ], [ 3.0637600000000003, -0.28847000000000006, 3.86241 ], [ 0.26944000000000007, 3.66245, 0.01274 ], [ 2.27545, 1.6961999999999997, 1.46905 ], [ 1.0923000000000005, 1.71151, 5.33441 ] ]

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

[ "C", "C", "C", "C", "Ce", "Pr", "Rh", "Rh" ]

2024-11-01 00:00:00

[ 0.5, 0.125, 0.125, 0.25 ]

[ [ 5.49260271, -0.04517553, 0.54678197 ], [ -0.04517553, 4.71697234, -0.1470019 ], [ 0.54678197, -0.1470019, 4.81524894 ] ]

-63.0908

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

[ [ 0.057545, -0.006337, -0.033398 ], [ 0.029738, 0.012136, 0.02489 ], [ -0.010417, 0.102702, 0.027732 ], [ 0.011301, -0.015703, -0.053932 ], [ -0.019805, -0.000509, 0.011927 ], [ -0.007706, -0.021159, 0.009566 ], [ -0.018721, -0.036795, -0.001967 ], [ -0.041935, -0.034335, 0.015182 ] ]

-0.004377

null

pbe

false

a56f269c38d109010a5e874cebf739cb_1_Ce1Pr1Rh2C4

[ "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-8106916

[ [ 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

[ "Mn", "Re", "V" ]

3

ABC

MnReV

Mn1 Re1 V1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.801906, 2.801906 ], [ 2.801906, 0, 2.801906 ], [ 2.801906, 2.801906, 0 ] ]

oqmd-3488981

[ [ 0, 0, 0 ], [ 1.4009600000000002, 1.4009600000000002, 1.4009600000000002 ], [ 4.202859999999999, 4.202859999999999, 4.202859999999999 ] ]

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

[ "Mn", "Re", "V" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 13.13442, 0, 0 ], [ 0, 13.13442, 0 ], [ 0, 0, 13.13442 ] ]

-29.1455

[ 0, 0, 0 ]

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

0.085592

null

pbe

false

22da59e126e3949a82f2dc81996a748f_216_Mn1V1Re1

[ "Cd", "Ho", "K" ]

3

ABC

CdHoK

Cd1 Ho1 K1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.803191896, 3.803191896 ], [ 3.803191896, 0, 3.803191896 ], [ 3.803191896, 3.803191896, 0 ] ]

oqmd-4958177

[ [ 1.9016000000000033, 1.9016000000000033, 1.9016000000000033 ], [ 0, 0, 0 ], [ 5.704790000000004, 5.704790000000004, 5.704790000000004 ] ]

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

[ "Cd", "Ho", "K" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.90080182, 0, 0 ], [ 0, 4.90080182, 0 ], [ 0, 0, 4.90080182 ] ]

-4.56556

[ 0.037, 0.267, 0.016 ]

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

0.597591

null

pbe

true

1cc631e8bdebf7133c130f58259cb1d3_216_K1Ho1Cd1

[ "Mo", "N", "O", "Pm" ]

8

ABCD

MoNOPm

Mo1 N1 O1 Pm1

4

[ 1, 1, 1 ]

3

[ [ -1.964116, -3.401949, 0 ], [ 0, 0, 5.101766 ], [ -4.68321, 2.703852, 0 ] ]

oqmd-3701642

[ [ -2.491350000000001, -0.8295900000000013, 5.101189999999998 ], [ -4.155989999999998, 0.13148999999999916, 2.550319999999999 ], [ -1.536077393380461, 0.8868545147978728, 5.099240000000002 ], [ -3.14713174059415, 1.816996985202238, 2.5483699999999976 ], [ -0.9956500000000006, -1.693130000000001, 1.2995900000000018 ], [ -5.65168, 0.9950399999999996, 3.85047 ], [ -0.97786103121191, 0.5645682138884195, 2.5502200000000004 ], [ -3.705352432889656, 2.139285786111142, 5.101109999999998 ] ]

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

[ "Mo", "Mo", "N", "N", "O", "O", "Pm", "Pm" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 29.79101, 1.87388, 0.00925 ], [ 1.87388, 31.95478, -0.00534 ], [ 0.00925, -0.00534, 30.21838 ] ]

-68.692

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

[ [ 0.008835, -0.005101, 0.012927 ], [ -0.008886, 0.00513, 0.005544 ], [ -0.034374, 0.019846, 0.00553 ], [ 0.034363, -0.019839, 0.006392 ], [ 0.015282, -0.008823, -0.022225 ], [ -0.015165, 0.008755, -0.022503 ], [ -0.012605, 0.007278, 0.007207 ], [ 0.012551, -0.007246, 0.007128 ] ]

0.00002

null

pbe

false

ce36145359248f241aac3eacaa8e3163_26_Pm2Mo2N2O2

[ "Cr", "Pa", "Pd" ]

3

ABC

CrPaPd

Cr1 Pa1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.050776015, 3.050776015 ], [ 3.050776015, 0, 3.050776015 ], [ 3.050776015, 3.050776015, 0 ] ]

oqmd-6945514

[ [ 0, 0, 0 ], [ 1.52539, 1.52539, 1.52539 ], [ 4.57616, 4.57616, 4.57616 ] ]

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

[ "Cr", "Pa", "Pd" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 14.01072065, 0, 0 ], [ 0, 14.01072065, 0 ], [ 0, 0, 14.01072065 ] ]

-23.3324

[ 0.609, -0.019, 0.047 ]

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

0.589784

null

pbe

false

fb38debbf461ffa742342939ca1c548b_216_Pa1Cr1Pd1

[ "Ca", "Si" ]

4

AB

CaSi

Ca1 Si1

2

[ 1, 1, 1 ]

3

[ [ 3.592451033, 0, 0 ], [ -1.796225516, 3.111153856, 0 ], [ 0, 0, 9.04855261 ] ]

oqmd-7291354

[ [ 0, 0, 0 ], [ 0, 0, 4.52428 ], [ 1.7962300000000002, 1.03705, 2.26214 ], [ -3.5479534896020956e-18, 2.0741, 6.78641 ] ]

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

[ "Ca", "Ca", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ -0.33511952, 0, 0 ], [ 0, -0.33511952, 0 ], [ 0, 0, -0.52637149 ] ]

-15.0094

[ 0, 0, 0, 0 ]

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

null

pbe

false

99dd5bf823a45800114851976de2366a_194_Ca2Si2

[ "As", "Dy", "Er", "Lu", "Os" ]

9

A3B2C2DE

As2Dy3ErLu2Os

As2 Dy3 Er1 Lu2 Os1

5

[ 1, 1, 1 ]

3

[ [ 4.229102966, 0, 0 ], [ 0, 7.118875433, 4.100584993 ], [ 0, -7.118875433, 4.100584993 ] ]

oqmd-9919140

[ [ 0, 2.38215, 4.10689 ], [ 0, -2.3821500000000007, 4.10689 ], [ 2.11455, 4.36351, 5.684179999999999 ], [ 2.11455, 2.7101518644230627e-17, 5.0436 ], [ 2.11455, -4.36351, 5.684179999999999 ], [ 0, 3.055752814103789e-17, 1.8931899999999997 ], [ 0, 5.48038, 3.15774 ], [ 0, -5.48038, 3.15774 ], [ 2.11455, -4.0420430403641356e-16, 8.171410000000002 ] ]

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

[ "As", "As", "Dy", "Dy", "Dy", "Er", "Lu", "Lu", "Os" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.3333333333333333, 0.1111111111111111, 0.2222222222222222, 0.1111111111111111 ]

[ [ -40.60648, 0, 0 ], [ 0, -62.47674, 0 ], [ 0, 0, -62.26238 ] ]

-54.204

[ 0, 0, 0.003, -0.001, 0.003, 0.002, -0.001, -0.001, 0.001 ]

[ [ 0, 0.031976, 0.013125 ], [ 0, -0.031976, 0.013125 ], [ 0, -0.474459, 0.260045 ], [ 0, 0, -0.497709 ], [ 0, 0.474459, 0.260045 ], [ 0, 0, 0.64832 ], [ 0, -0.585829, -0.334668 ], [ 0, 0.585829, -0.334668 ], [ 0, 0, -0.027614 ] ]

0.016346

null

pbe

true

e853d6f5aae29d04387309d3db34b4d1_38_Dy3Er1Lu2As2Os1

[ "Br", "Sr" ]

24

A2B

Br2Sr

Sr8 Br16

2

[ 1, 1, 1 ]

3

[ [ 7.95191475, 0.67308064, 0 ], [ 10.32379682, 14.08873601, 0 ], [ 0, 0, 22.39807664 ] ]

agm2000036385

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

[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 0.2689633, 0.00616542, 0 ], [ 0.00616563, 0.2652808, 0 ], [ 0, 0, -0.04820864 ] ]

-88.781774

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0.374641

0

pbe

true

d7f23ad2cf39a75d82432c19cee33e08_13_Sr8Br16

[ "F", "Fe", "S" ]

8

A2BC

F2FeS

Fe2 S2 F4

3

[ 1, 1, 1 ]

3

[ [ 5.7814625, 0, 0 ], [ 0, 5.7814625, 0 ], [ 2.89073125, 2.89073125, 5.09135275 ] ]

agm002828203

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

[ "S", "S", "Fe", "Fe", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 10.197088, 0, 0 ], [ 0, 10.197088, 0 ], [ 0, 0, 6.413826 ] ]

-35.201639

[ 1.113, 1.112, -3.873, -3.873, -0.044, -0.044, -0.042, -0.042 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00758525, 0, 0 ], [ 0.00758525, 0, 0 ], [ 0, 0.00758525, 0 ], [ 0, -0.00758525, 0 ] ]

-4.381007

6.386549

pbe

true

47aa6072a48ef6f008d5c7816ae0d3b1_122_Fe2S2F4

[ "Fe", "Tc", "Tl" ]

4

A2BC

FeTcTl2

Tl2 Fe1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 4.5282258, 0.75034068, -0.71643329 ], [ -1.01666751, 4.47596103, -0.71643329 ], [ 0.42220826, 0.62837851, 3.27654478 ] ]

agm004206133

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

[ "Fe", "Tc", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.49950117, 3.218754, -0.7091197 ], [ 3.218754, 3.1273336, -1.0553927 ], [ -0.70912, -1.0553932, 8.942801 ] ]

-20.444509

[ 2.58, 0.297, -0.039, -0.039 ]

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

2.761668

4.292865

pbe

true

026456f9185477ff85e8defa679ffd25_123_Tl2Fe1Tc1

[ "Al", "Fe", "Ti" ]

10

A2B2C

Al2FeTi2

Ti4 Al4 Fe2

3

[ 1, 1, 1 ]

3

[ [ 6.48012084, 0, 0 ], [ 0, 6.48012084, 0 ], [ 0, 0, 3.71480414 ] ]

agm002955230

[ [ 2.3383820616819477, 5.578442481681948, 0 ], [ 5.578442481681948, 4.141738778318052, 0 ], [ 4.141738778318052, 0.901678358318052, 0 ], [ 0.901678358318052, 2.3383820616819477, 0 ], [ 0, 0, 0 ], [ 3.24006042, 3.24006042, 0 ], [ 1.0739716816095553, 4.314032101609555, 1.85740207 ], [ 4.314032101609555, 5.406149158390445, 1.85740207 ], [ 5.406149158390445, 2.1660887383904446, 1.85740207 ], [ 2.1660887383904446, 1.0739716816095553, 1.85740207 ] ]

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

[ "Al", "Al", "Al", "Al", "Fe", "Fe", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 1.7198931, 0, 0 ], [ 0, 1.7198931, 0 ], [ 0, 0, 0.8947471 ] ]

-65.310452

[ -0.019, -0.017, -0.019, -0.017, 1.891, 1.89, -0.341, -0.328, -0.34, -0.329 ]

[ [ -0.01106458, -0.01106458, 0 ], [ -0.01106458, 0.01106458, 0 ], [ 0.01106458, 0.01106458, 0 ], [ 0.01106458, -0.01106458, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01042421, 0.01042421, 0 ], [ 0.01042421, -0.01042421, 0 ], [ -0.01042421, -0.01042421, 0 ], [ -0.01042421, 0.01042421, 0 ] ]

1.831711

7.118282

pbe

true

3c4975fe2fa9e141527b6a672485ff8d_127_Ti4Al4Fe2

[ "Al", "Os", "Pm" ]

4

A2BC

AlOsPm2

Pm2 Al1 Os1

3

[ 1, 1, 1 ]

3

[ [ 3.57566911, 0, 0 ], [ 0, 3.57566911, 0 ], [ 0, 0, 7.34805813 ] ]

agm001154967

[ [ 1.787834555, 1.787834555, 0 ], [ 1.787834555, 1.787834555, 3.674029065 ], [ 0, 0, 5.659416836430842 ], [ 0, 0, 1.688641293569158 ] ]

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

[ "Os", "Al", "Pm", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.512565, 0, 0 ], [ 0, 2.512565, 0 ], [ 0, 0, 2.4306507 ] ]

-25.031318

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00737464 ], [ 0, 0, 0.00737464 ] ]

0.000001

2.019037

pbe

true

77052541d3433db7cee3ab4ecdacbe74_123_Pm2Al1Os1

[ "Ho", "Ir", "Si" ]

24

A3B2C

Ho3IrSi2

Ho12 Si8 Ir4

3

[ 1, 1, 1 ]

3

[ [ 4.17303362, 0, 0 ], [ 0, 11.17706145, 0 ], [ 0, 0, 11.4713663 ] ]

agm005738744

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

[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ [ 1.2373891, 0, 0 ], [ 0, 1.2736402, 0 ], [ 0, 0, 1.4522512 ] ]

-154.017475

[ 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, 0.00080134, 0.0016524 ], [ 0, -0.00080134, -0.0016524 ], [ 0, 0.00080134, -0.0016524 ], [ 0, -0.00080134, 0.0016524 ], [ 0, 0.00368829, -0.00251085 ], [ 0, -0.00368829, 0.00251085 ], [ 0, 0.00368829, 0.00251085 ], [ 0, -0.00368829, -0.00251085 ], [ 0, -0.00008024, -0.00130203 ], [ 0, 0.00008024, 0.00130203 ], [ 0, -0.00008024, 0.00130203 ], [ 0, 0.00008024, -0.00130203 ], [ 0, -0.00228374, -0.0028041 ], [ 0, 0.00228374, 0.0028041 ], [ 0, -0.00228374, 0.0028041 ], [ 0, 0.00228374, -0.0028041 ], [ 0, -0.00050599, -0.00357369 ], [ 0, 0.00050599, 0.00357369 ], [ 0, -0.00050599, 0.00357369 ], [ 0, 0.00050599, -0.00357369 ], [ 0, 0.00110985, 0.00151258 ], [ 0, -0.00110985, -0.00151258 ], [ 0, 0.00110985, -0.00151258 ], [ 0, -0.00110985, 0.00151258 ] ]

-0.001108

15.940616

pbe

true

a2e8e3e2ed06380284365af5bedf9e1b_62_Ho12Si8Ir4

[ "As", "Co", "Nb" ]

24

A3B2C

As2CoNb3

Nb12 Co4 As8

3

[ 1, 1, 1 ]

3

[ [ 3.60296143, 0, 0 ], [ 0, 10.37217733, 0 ], [ 0, 0, 10.52438595 ] ]

agm005750893

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

[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Co", "Co", "Co", "Co", "As", "As", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 1.7018827, 0, 0 ], [ 0, 1.931482, 0 ], [ 0, 0, 2.0013132 ] ]

-196.495754

[ 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, -0.00036727, -0.00184232 ], [ 0, 0.00036727, 0.00184232 ], [ 0, -0.00036727, 0.00184232 ], [ 0, 0.00036727, -0.00184232 ], [ 0, 0.00475616, -0.00045112 ], [ 0, -0.00475616, 0.00045112 ], [ 0, 0.00475616, 0.00045112 ], [ 0, -0.00475616, -0.00045112 ], [ 0, -0.00132188, -0.00258825 ], [ 0, 0.00132188, 0.00258825 ], [ 0, -0.00132188, 0.00258825 ], [ 0, 0.00132188, -0.00258825 ], [ 0, 0.00256689, -0.00294517 ], [ 0, -0.00256689, 0.00294517 ], [ 0, 0.00256689, 0.00294517 ], [ 0, -0.00256689, -0.00294517 ], [ 0, -0.0009829, 0.00074408 ], [ 0, 0.0009829, -0.00074408 ], [ 0, -0.0009829, -0.00074408 ], [ 0, 0.0009829, 0.00074408 ], [ 0, 0.00066424, 0.00250103 ], [ 0, -0.00066424, -0.00250103 ], [ 0, 0.00066424, -0.00250103 ], [ 0, -0.00066424, 0.00250103 ] ]

0.000003

14.503549

pbe

true

1b975a71c007e6e183f669759f9233b2_62_Nb12Co4As8

[ "Al", "Au", "Ru", "S" ]

5

A2BCD

Al2AuRuS

Al2 Ru1 Au1 S1

4

[ 1, 1, 1 ]

3

[ [ 4.71318976, 0, 0 ], [ 0, 5.21615447, 0 ], [ 0, 0, 4.71318976 ] ]

agm001587113

[ [ 0, 2.608077235, 0 ], [ 2.35659488, 2.608077235, 2.35659488 ], [ 0, 0, 0 ], [ 0, 0, 2.35659488 ], [ 2.35659488, 0, 0 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}]

[ "Ru", "S", "Au", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 2.190964, 0, 0 ], [ 0, 3.8174188, 0 ], [ 0, 0, 2.190964 ] ]

-19.814904

[ 2.384, 0.067, 0.065, 0.025, 0.024 ]

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

2.83678

5.565034

pbe

true

8cfb548a044700c7bc717de63a2a20d4_123_Al2Ru1Au1S1

[ "Nb", "Sb", "W" ]

8

A2BC

NbSbW2

Nb2 Sb2 W4

3

[ 1, 1, 1 ]

3

[ [ 3.97554508, 0, 0 ], [ 0, 3.97554508, 0 ], [ 1.98777254, 1.98777254, 9.88267635 ] ]

agm002867306

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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Sb", "Sb", "Nb", "Nb", "W", "W", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 6.8065023, 0, 0 ], [ 0, 6.8065023, 0 ], [ 0, 0, 6.957138 ] ]

-73.501602

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01490533, 0, 0 ], [ 0.01490533, 0, 0 ], [ 0, 0.01490533, 0 ], [ 0, -0.01490533, 0 ] ]

0

7.071025

pbe

true

7cd38e5ea7f1329ba15b04b6ee9a7a5e_122_Nb2Sb2W4

[ "Ba", "Tb", "Y" ]

3

ABC

BaTbY

Ba1 Tb1 Y1

3

[ 1, 1, 1 ]

3

[ [ 3.78821476, 0, 0 ], [ 0, 3.78821476, 0 ], [ -1.89410738, -1.89410738, 8.22526579 ] ]

agm003155228

[ [ 1.8941073799999997, 1.8941073799999997, 2.993903802056573 ], [ 1.8941073887686612e-8, 1.8941073887686612e-8, 5.242629203780543 ], [ 1.8941073610589263, 1.8941073610589263, 8.213998574162884 ] ]

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

[ "Y", "Tb", "Ba" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.0827534, 0, 0 ], [ 0, 1.0827534, 0 ], [ 0, 0, 0.9967664 ] ]

-12.463956

[ 0.001, 0.001, 0 ]

[ [ 0, 0, 0.00217659 ], [ 0, 0, -0.0052846 ], [ 0, 0, 0.00310801 ] ]

0.003159

5.678614

pbe

true

04df064a9691c81a00a8129c62ba21c6_107_Ba1Tb1Y1

[ "Be", "Cu", "Sn" ]

5

A3BC

Be3CuSn

Be3 Cu1 Sn1

3

[ 1, 1, 1 ]

3

[ [ 4.17593642, 0, 0 ], [ 0, 4.17593642, 0 ], [ 0, 0, 4.17593642 ] ]

agm002413865

[ [ 0, 2.08796821, 0 ], [ 0, 0, 2.08796821 ], [ 2.08796821, 0, 0 ], [ 2.08796821, 2.08796821, 2.08796821 ], [ 0, 0, 0 ] ]

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

[ "Be", "Be", "Be", "Sn", "Cu" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ -2.0352266, 0, 0 ], [ 0, -2.0352266, 0 ], [ 0, 0, -2.0352266 ] ]

-16.410161

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

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

0

1.13115

pbe

true

0c99db99853e8c1503ca83b927d2e0fc_221_Be3Cu1Sn1

[ "Bi", "Sb", "Tc" ]

8

A2BC

Bi2SbTc

Tc2 Bi4 Sb2

3

[ 1, 1, 1 ]

3

[ [ 6.61944278, 0, 0 ], [ 0, 6.61944278, 0 ], [ 3.30972139, 3.30972139, 6.46647346 ] ]

agm002896567

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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Sb", "Sb", "Bi", "Bi", "Bi", "Bi", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.75072825, 0, 0 ], [ 0, 0.75072825, 0 ], [ 0, 0, 1.3250443 ] ]

-38.557356

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00005774, 0, 0 ], [ 0.00005774, 0, 0 ], [ 0, 0.00005774, 0 ], [ 0, -0.00005774, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000027

6.708691

pbe

true

5e46963083d8c263b302c48347c490fc_122_Tc2Bi4Sb2

[ "Co", "Fe", "Mo" ]

8

A2BC

CoFeMo2

Fe2 Co2 Mo4

3

[ 1, 1, 1 ]

3

[ [ 6.60699278, 0, 0 ], [ 0, 6.60699278, 0 ], [ 3.30349639, 3.30349639, 2.58698303 ] ]

agm002829654

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

[ "Mo", "Mo", "Mo", "Mo", "Co", "Co", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -1.2265625, 0, 0 ], [ 0, -1.2265625, 0 ], [ 0, 0, 10.934001 ] ]

-69.502538

[ -0.086, -0.09, -0.094, -0.101, -0.285, -0.285, 1.207, 1.206 ]

[ [ -0.01795245, 0, 0 ], [ 0.01795245, 0, 0 ], [ 0, 0.01795245, 0 ], [ 0, -0.01795245, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.461739

8.643152

pbe

true

fc2806f8df2ab041605d080b3f96baf0_122_Fe2Co2Mo4

[ "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-7566232

[ [ 2.24122, -7.555439999999999, 2.4660400000000005 ], [ 2.24122, 7.555439999999999, 7.39812 ], [ 2.24122, 4.12996, 2.4660400000000005 ], [ 2.24122, -4.12996, 7.39812 ], [ 2.24122, -1.2997299999999994, 2.4660400000000005 ], [ 2.24122, 1.2997299999999998, 7.39812 ], [ 2.24122, -5.338549999999999, 0.7268500000000001 ], [ 2.24122, -5.338549999999999, 4.205230000000001 ], [ 2.24122, 5.33855, 5.658930000000001 ], [ 2.24122, 5.33855, 9.13731 ], [ 2.24122, -1.4895962821141178e-17, 0 ], [ 2.24122, -1.4895962821141178e-17, 4.932080000000001 ] ]

[{"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

[ "Dy", "Nd", "Pr", "Tm" ]

20

A6B2CD

DyNdPr6Tm2

Pr12 Nd2 Dy2 Tm4

4

[ 1, 1, 1 ]

3

[ [ 9.30806136, -2.0840515, -2.16277498 ], [ 0.79116402, 8.71969759, -2.00951834 ], [ 0.79116402, -2.33130104, 8.63923176 ] ]

agm004982407

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Nd", "Nd", "Dy", "Dy", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 1.0647718, -0.01867657, -0.01938207 ], [ -0.01867651, 1.0255759, 0.00947799 ], [ -0.019382, 0.00947799, 1.026279 ] ]

-91.724635

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

[ [ 0.00062484, -0.00183034, -0.00058241 ], [ -0.00062484, 0.00051417, 0.00185067 ], [ -0.00062484, 0.00183034, 0.00058241 ], [ 0.00062484, -0.00051417, -0.00185067 ], [ -0.00475091, 0.00116522, -0.00039054 ], [ 0.00475091, 0.00043346, -0.00114995 ], [ 0.00475091, -0.00116522, 0.00039054 ], [ -0.00475091, -0.00043346, 0.00114995 ], [ 0.00521202, -0.00495987, 0.00022674 ], [ -0.00521202, -0.0004104, 0.00494806 ], [ -0.00521202, 0.00495987, -0.00022674 ], [ 0.00521202, 0.0004104, -0.00494806 ], [ 0, -0.00126457, 0.00121854 ], [ 0, 0.00126457, -0.00121854 ], [ 0, 0.0003645, -0.00035123 ], [ 0, -0.0003645, 0.00035123 ], [ 0.00230022, -0.0025784, -0.00135025 ], [ -0.00230022, 0.00125376, 0.00262667 ], [ -0.00230022, 0.0025784, 0.00135025 ], [ 0.00230022, -0.00125376, -0.00262667 ] ]

-0.000009

30.112362

pbe

true

1cbe22f6d14da251ccddc505e48d97cd_15_Pr12Nd2Dy2Tm4

[ "Cu", "Er", "Hg" ]

3

ABC

CuErHg

Er1 Cu1 Hg1

3

[ 1, 1, 1 ]

3

[ [ 4.57954075, 0, 0 ], [ 2.28977038, 3.96599863, 0 ], [ 2.28977038, 1.32199954, 3.73917937 ] ]

agm001237703

[ [ 4.579540755, 2.643999085, 1.869589685 ], [ 2.2897703775, 1.3219995425, 0.9347948425 ], [ 0, 0, 0 ] ]

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

[ "Hg", "Cu", "Er" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -2.362848, 0, 0 ], [ 0, -2.362848, 0 ], [ 0, 0, -2.362848 ] ]

-9.572159

[ 0, 0, 0 ]

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

0.00002

3.011964

pbe

true

7192542f100af0fc590bdaa9abda6a20_216_Er1Cu1Hg1

[ "Si", "Te", "Y" ]

8

A4B3C

SiTe3Y4

Si1 Te3 Y4

3

[ 1, 1, 1 ]

3

[ [ 4.363435643, -6.116583728, 0 ], [ 4.363435643, 6.116583728, 0 ], [ 0, 0, 4.273491556 ] ]

oqmd-9417949

[ [ 0, 0, 0 ], [ 4.36344, 1.733203698362823e-16, 0 ], [ 2.181718245881799, -3.05829245889059, 2.13675 ], [ 2.181718245881799, 3.05829245889059, 2.13675 ], [ 4.36344, -3.2852100000000006, 0 ], [ 4.36344, 3.28521, 0 ], [ 1.93069, 6.946296073042121e-17, 2.13675 ], [ 6.7961800000000006, -3.2521939740740774e-16, 2.13675 ] ]

[{"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": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Si", "Te", "Te", "Te", "Y", "Y", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.125, 0.375, 0.5 ]

[ [ 1.92828439, 0, 0 ], [ 0, 1.90351749, 0 ], [ 0, 0, 2.40436497 ] ]

-50.9081

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.017084, 0 ], [ 0, -0.017084, 0 ], [ 0.016857, 0, 0 ], [ -0.016857, 0, 0 ] ]

-0.002848

null

pbe

false

268bca575948f317839a209fb24d4e77_65_Y4Si1Te3

[ "Al", "Cu", "Li", "Tb" ]

18

A12B3C2D

AlCu12Li3Tb2

Li3 Tb2 Al1 Cu12

4

[ 1, 1, 1 ]

3

[ [ 6.28779679, -1.34881277, -0.9566999 ], [ 1.93238903, 6.13364142, -0.9566999 ], [ 1.93238903, 1.12481039, 6.10504982 ] ]

agm004500803

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

[ "Li", "Li", "Li", "Tb", "Tb", "Al", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.1111111111111111 ]

[ [ -7.0333796, 0.0539419, 0.03826047 ], [ 0.0539419, -7.094651, 0.02227076 ], [ 0.03826047, 0.02227076, -7.1102533 ] ]

-67.914344

[ 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 ], [ 0.00447155, 0.00260281, 0.00184615 ], [ -0.00447155, -0.00260281, -0.00184615 ], [ 0, 0, 0 ], [ 0.02199522, 0.01280304, -0.02484327 ], [ -0.00364149, -0.00211965, -0.01519839 ], [ -0.01488032, 0.00426336, 0.00302396 ], [ -0.00584497, 0.02861468, 0.02029611 ], [ -0.00364149, -0.01504459, 0.00302396 ], [ 0.02199522, -0.01921389, 0.02029611 ], [ -0.02199522, -0.01280304, 0.02484327 ], [ 0.00364149, 0.00211965, 0.01519839 ], [ 0.01488032, -0.00426336, -0.00302396 ], [ 0.00584497, -0.02861468, -0.02029611 ], [ 0.00364149, 0.01504459, -0.00302396 ], [ -0.02199522, 0.01921389, -0.02029611 ] ]

-0

8.719584

pbe

true

556d5eede8543a4d21d645089a304681_166_Li3Tb2Al1Cu12

[ "B", "Cd", "Cu", "Pt" ]

9

A4B2C2D

BCd2Cu2Pt4

Cd2 Cu2 B1 Pt4

4

[ 1, 1, 1 ]

3

[ [ 5.77897897, -0.09126751, -0.1317311 ], [ -2.85406847, 5.02585524, 0.1317311 ], [ -2.85406847, -1.64243384, 4.75173495 ] ]

agm004567025

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

[ "Cd", "Cd", "Cu", "Cu", "B", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.2222222222222222, 0.4444444444444444 ]

[ [ -2.4494717, -0.08725043, -0.12593302 ], [ -0.08725043, -2.5449545, 0.07464511 ], [ -0.12593302, 0.07464511, -2.488932 ] ]

-43.572081

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01007123, -0.00596959, -0.00861621 ], [ -0.01007123, 0.00596959, 0.00861621 ], [ 0, 0, 0 ], [ 0, 0.0013024, -0.00090234 ], [ 0.00114254, 0.00062517, 0.00090234 ], [ 0, -0.0013024, 0.00090234 ], [ -0.00114254, -0.00062517, -0.00090234 ] ]

-0

2.854839

pbe

true

31de8bebe4d240795fb6d2350a28aa0a_139_Cd2Cu2B1Pt4

[ "Cd", "Pd", "Pm", "Tm" ]

8

A4B2CD

CdPd4PmTm2

Pm1 Tm2 Cd1 Pd4

4

[ 1, 1, 1 ]

3

[ [ 4.88243828, 0, 0 ], [ 2.44121914, 4.22831558, 0 ], [ 2.44121914, 1.40943853, 7.96780417 ] ]

agm004796204

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

[ "Pm", "Tm", "Tm", "Cd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.125, 0.25 ]

[ [ 5.025148, 0, 0 ], [ 0, 5.025148, 0 ], [ 0, 0, 5.087195 ] ]

-41.67065

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00656407 ], [ 0, 0, -0.00656407 ], [ 0, 0, 0 ], [ 0, 0, -0.00299429 ], [ 0, 0, -0.00152724 ], [ 0, 0, 0.00152724 ], [ 0, 0, 0.00299429 ] ]

-0.000004

4.999356

pbe

true

d3e8920a4157d5750aa8044b10d51b4b_166_Pm1Tm2Cd1Pd4

[ "Cs", "Pb", "Pd", "Tl" ]

5

A2BCD

CsPb2PdTl

Cs1 Tl1 Pd1 Pb2

4

[ 1, 1, 1 ]

3

[ [ 5.60002509, 0, 0 ], [ 0, 5.60002509, 0 ], [ 0, 0, 5.56199866 ] ]

agm001644291

[ [ 0, 2.800012545, 0 ], [ 2.800012545, 0, 0 ], [ 2.800012545, 2.800012545, 2.78099933 ], [ 0, 0, 2.78099933 ], [ 0, 0, 0 ] ]

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

[ "Pb", "Pb", "Cs", "Tl", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 4.0633945, 0, 0 ], [ 0, 4.0633945, 0 ], [ 0, 0, 4.1561217 ] ]

-15.733548

[ 0, 0, 0, 0, 0 ]

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

-0.000001

5.679833

pbe

true

94b98fa59d3e09e8df313c18a0775dca_123_Cs1Tl1Pd1Pb2

[ "Dy", "Nd", "Sm", "Tm" ]

12

A3BCD

DyNd3SmTm

Nd6 Sm2 Dy2 Tm2

4

[ 1, 1, 1 ]

3

[ [ 5.10412024, 0, 0 ], [ -2.55206012, 7.69321719, 0 ], [ 0, 0, 10.2168841 ] ]

agm005027617

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

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Sm", "Sm", "Dy", "Dy", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 1.1964736, 0, 0 ], [ 0, 1.2132406, 0 ], [ 0, 0, 1.1081567 ] ]

-55.973499

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

[ [ 0, -0.00022249, -0.00240383 ], [ 0, 0.00022249, 0.00240383 ], [ 0, 0.00022249, -0.00240383 ], [ 0, -0.00022249, 0.00240383 ], [ 0, -0.00291454, 0 ], [ 0, 0.00291454, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00443476, 0 ], [ 0, -0.00443476, 0 ], [ 0, 0.00253738, 0 ], [ 0, -0.00253738, 0 ] ]

0.000001

17.362677

pbe

true

13ba80d34744a6db898f41fc28811b68_63_Nd6Sm2Dy2Tm2

[ "As", "B", "Li" ]

8

A2BC

AsB2Li

Li2 B4 As2

3

[ 1, 1, 1 ]

3

[ [ 5.50519543, 0, 0 ], [ 0, 5.50519543, 0 ], [ 2.75259771, 2.75259771, 3.99831419 ] ]

agm002848258

[ [ 0, 0, 0 ], [ 5.5051954274999995, 2.7525977125, 1.999157095 ], [ 4.367048297694313, 1.37629885625, 0.9995785475 ], [ 1.1381471298056864, 4.128896571249999, 0.9995785475 ], [ 4.128896568749999, 3.8907448423056863, 2.9987356425 ], [ 6.8814942837499995, 7.119646010194313, 2.9987356425 ], [ 2.752597715, 2.752597715, 0 ], [ 2.7525977125, 5.5051954274999995, 1.999157095 ] ]

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

[ "As", "As", "B", "B", "B", "B", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.0883226, 0, 0 ], [ 0, 1.0883226, 0 ], [ 0, 0, -0.48096564 ] ]

-31.961094

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00444805, 0, 0 ], [ 0.00444805, 0, 0 ], [ 0, 0.00444805, 0 ], [ 0, -0.00444805, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

1.048266

pbe

true

1ae121a15ca1bd0edb5ff804d7f443b0_122_Li2B4As2

[ "Au", "Ru", "Th" ]

16

A5B2C

AuRu2Th5

Th10 Ru4 Au2

3

[ 1, 1, 1 ]

3

[ [ 7.06983451, 0, -3.33733373 ], [ -1.57539784, 6.89207434, -3.33733373 ], [ -0.18954765, -0.2377636, 8.75552421 ] ]

agm005915060

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

[ "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Ru", "Ru", "Ru", "Ru", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.625 ]

[ [ 2.4845278, -0.0350734, -0.05923213 ], [ -0.0350734, 2.468494, -0.07429923 ], [ -0.05923213, -0.07429923, 2.3870106 ] ]

-125.177572

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

[ [ 0.0021267, 0.00583341, 0.00777407 ], [ -0.00521284, -0.00337311, -0.00777407 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00521284, 0.00337311, 0.00777407 ], [ 0.00465046, 0.00583341, 0.00658272 ], [ 0.00268908, 0.00337311, 0.00896542 ], [ -0.00465046, -0.00583341, -0.00658272 ], [ -0.00268908, -0.00337311, -0.00896542 ], [ -0.0021267, -0.00583341, -0.00777407 ], [ 0.00027883, -0.00022229, 0 ], [ 0.00017721, 0.00022229, -0.00021528 ], [ -0.00017721, -0.00022229, 0.00021528 ], [ -0.00027883, 0.00022229, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000011

15.20503

pbe

true

fc464bb3e809b647fe8950e1fb90c101_140_Th10Ru4Au2

[ "Au", "W", "Zn" ]

4

A2BC

Au2WZn

Zn1 W1 Au2

3

[ 1, 1, 1 ]

3

[ [ 4.01553849, 0, 0 ], [ 0, 4.08172699, 0 ], [ 0, 0, 4.08172699 ] ]

agm003913174

[ [ 0, 0, 0 ], [ 0, 2.040863495, 2.040863495 ], [ 2.007769245, 2.040863495, 0 ], [ 2.007769245, 0, 2.040863495 ] ]

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

[ "Au", "Au", "W", "Zn" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 6.3223305, 0, 0 ], [ 0, 5.474201, 0 ], [ 0, 0, 5.474201 ] ]

-18.964209

[ 0, 0, -0.002, 0 ]

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

-0.003352

4.407616

pbe

true

00b6e9d7f115f31a5708844c7cf48595_123_Zn1W1Au2

[ "Bi", "Pm", "Tm" ]

4

A2BC

Bi2PmTm

Pm1 Tm1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 3.42206577, 0, 0 ], [ 0, 5.87785019, 0 ], [ 0, 0, 5.87785019 ] ]

agm001220079

[ [ 1.711032885, 0, 0 ], [ 0, 0, 2.938925095 ], [ 0, 2.938925095, 0 ], [ 1.711032885, 2.938925095, 2.938925095 ] ]

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

[ "Tm", "Bi", "Bi", "Pm" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.46726254, 0, 0 ], [ 0, 0.59404194, 0 ], [ 0, 0, 0.59404194 ] ]

-19.568033

[ 0, 0, 0, 0 ]

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

0.000604

1.759014

pbe

true

5fc54e86c9a3e05c82efae3841b9ff4a_123_Pm1Tm1Bi2

[ "K", "O", "Rb" ]

9

A6B2C

KO6Rb2

K1 Rb2 O6

3

[ 1, 1, 1 ]

3

[ [ 3.68841689, 0, 0 ], [ 0, 6.12540307, 0 ], [ -1.84420845, -3.06270154, 7.45568835 ] ]

agm003502986

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

[ "K", "Rb", "Rb", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

[ [ 0.78490794, 0, 0 ], [ 0, 0.11186024, 0 ], [ 0, 0, 1.3715484 ] ]

-40.030649

[ -0.004, 0, 0, 0.417, 0.417, 0.417, 0.407, 0.407, 0.417 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00375595 ], [ 0, 0, -0.00375595 ], [ 0, -0.01697048, 0.00479056 ], [ 0, 0.01697048, -0.00479056 ], [ 0, -0.01697048, -0.00479056 ], [ 0, 0.0054941, 0 ], [ 0, -0.0054941, 0 ], [ 0, 0.01697048, 0.00479056 ] ]

3.001145

7.91832

pbe

true

da1f54609a58348113897896fee2a08b_71_K1Rb2O6

[ "Mg", "Ni", "Tc" ]

5

A3BC

MgNiTc3

Mg1 Tc3 Ni1

3

[ 1, 1, 1 ]

3

[ [ 4.42468197, 0, 0 ], [ 0, 4.42468197, 0 ], [ 0, 0, 4.42468197 ] ]

agm002517952

[ [ 2.212340985, 2.212340985, 2.212340985 ], [ 0, 0, 0 ], [ 0, 2.212340985, 0 ], [ 0, 0, 2.212340985 ], [ 2.212340985, 0, 0 ] ]

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

[ "Ni", "Mg", "Tc", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -1.538047, 0, 0 ], [ 0, -1.538047, 0 ], [ 0, 0, -1.538047 ] ]

-27.306996

[ 0.023, 0, 0.279, 0.373, 0.168 ]

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

0.884669

7.52458

pbe

true

0906edc2785abc15ea3ab58b0e33f886_221_Mg1Tc3Ni1

[ "Mn", "Nb", "Ni" ]

6

ABC

MnNbNi

Mn2 Nb2 Ni2

3

[ 1, 1, 1 ]

3

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agm005696750

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2023-11-16 06:57:59

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Tm12 Ga20 Hg48

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2023-11-16 06:57:59

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bbab6ad53be7e3c162126fafdd5a8d71_230_Tm12Ga20Hg48

[ "H", "Zn" ]

6

A2B

H2Zn

H2 Zn1

2

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3

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oqmd-5859027

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[ "H", "H", "H", "H", "Zn", "Zn" ]

2024-11-01 00:00:00

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null

pbe

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8

A2BC

AsFeO2

Fe2 As2 O4

3

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3

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2023-11-16 06:57:59

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true

726fd6e8c19e257df147ee33e6952721_122_Fe2As2O4

[ "Ge", "O", "Pb", "V" ]

12

A8B2CD

GeO8PbV2

V2 Ge1 Pb1 O8

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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0

pbe

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6baff678b3e87ac356f720fac9d02b22_147_V2Ge1Pb1O8

[ "Hg", "Lu", "Pd" ]

3

ABC

HgLuPd

Lu1 Hg1 Pd1

3

[ 1, 1, 1 ]

3

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[ "Lu", "Hg", "Pd" ]

2023-11-16 06:57:59

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A6B2C

La6Ru2Zn

La6 Zn1 Ru2

3

[ 1, 1, 1 ]

3

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[ "La", "La", "La", "La", "La", "La", "Zn", "Ru", "Ru" ]

2023-11-16 06:57:59

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9.299999

pbe

true

683c5a2e93cba9ccef8540421be1bd47_12_La6Zn1Ru2

[ "Pb", "Pd", "Y" ]

18

A6B2C

PbPd2Y6

Y12 Pd4 Pb2

3

[ 1, 1, 1 ]

3

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agm005800591

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[ "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb" ]

2023-11-16 06:57:59

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15.957974

pbe

true

69ebdaf5793c8bdd4e64124991864f84_71_Y12Pd4Pb2

[ "H", "Pa", "U" ]

11

A8B2C

H8Pa2U

U1 Pa2 H8

3

[ 1, 1, 1 ]

3

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agm005946772

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[ "U", "Pa", "Pa", "H", "H", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.7272727272727273, 0.18181818181818182, 0.09090909090909091 ]

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4.838263

10.053886

pbe

true

006782d7e456df29406bf5587f97dbca_71_U1Pa2H8

[ "H", "O", "P", "Rb" ]

24

A2B2CD

H2O2PRb

H8 O8 P4 Rb4

4

[ 1, 1, 1 ]

3

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mp-24212

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[ "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "Rb", "Rb", "Rb", "Rb" ]

2014-02-19 00:15:44

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-124.222877

[]

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null

-1.358592

pbe

true

5d134e489f86c2db104f48d4b6c2b662_62_Rb4P4H8O8

[ "K", "Nb", "O", "Zr" ]

16

A5BCD

KNbO5Zr

K2 Zr2 Nb2 O10

4

[ 1, 1, 1 ]

3

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agm005066345

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[ "K", "K", "Zr", "Zr", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.625, 0.125 ]

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-132.898093

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0

pbe

true

a78fdf11fd1df784168a377dfb37393e_15_K2Zr2Nb2O10

[ "O", "P", "Pu", "Tl" ]

16

A5BCD

O5PPuTl

Pu2 Tl2 P2 O10

4

[ 1, 1, 1 ]

3

[ [ 6.15018113, 0.04732452, -0.10458818 ], [ -1.7500587, 5.89612263, -0.10458818 ], [ -1.95627649, -2.64243237, 7.22849569 ] ]

agm005066211

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[ "Pu", "Pu", "Tl", "Tl", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.625, 0.125, 0.125, 0.125 ]

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-130.714574

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8

9.483467

pbe

true

2a8bcba6299d70368b471784a2605c1b_15_Pu2Tl2P2O10

[ "Hf", "Th", "Zn" ]

12

A9B2C

Hf2ThZn9

Hf2 Th1 Zn9

3

[ 1, 1, 1 ]

3

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agm005941118

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[ "Hf", "Hf", "Th", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.75 ]

[ [ 3.3903434, 0.00275584, -0.01514166 ], [ 0.00275584, 3.3875222, -0.00925884 ], [ -0.01514166, -0.00925884, 3.4367142 ] ]

-41.61306

[ 0.283, 0.283, 0.029, 0.001, 0.001, -0.002, 0.007, 0.007, 0.007, 0.007, 0.007, 0.007 ]

[ [ 0.00071797, 0.00043902, -0.00241242 ], [ -0.00071797, -0.00043902, 0.00241242 ], [ 0, 0, 0 ], [ -0.00188519, -0.00115274, 0.00633432 ], [ 0.00188519, 0.00115274, -0.00633432 ], [ 0, 0, 0 ], [ -0.00233598, -0.00142838, 0.00111357 ], [ 0.00134693, -0.00142838, 0.00220966 ], [ -0.00065763, 0.00184987, 0.00220966 ], [ 0.00233598, 0.00142838, -0.00111357 ], [ 0.00065763, -0.00184987, -0.00220966 ], [ -0.00134693, 0.00142838, -0.00220966 ] ]

0.996845

7.502434

pbe

true

9cb834bff04994adba75c9c1ade76125_166_Hf2Th1Zn9

[ "Co", "La", "N", "Pd" ]

5

A2BCD

CoLa2NPd

La2 Co1 Pd1 N1

4

[ 1, 1, 1 ]

3

[ [ 5.2500035, 0, 0 ], [ 0, 5.2500035, 0 ], [ 0, 0, 3.59555469 ] ]

agm001617157

[ [ 0, 0, 0 ], [ 0, 0, 1.797777345 ], [ 2.62500175, 2.62500175, 1.797777345 ], [ 0, 2.62500175, 0 ], [ 2.62500175, 0, 0 ] ]

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

[ "N", "Co", "Pd", "La", "La" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.25995758, 0, 0 ], [ 0, 0.25995758, 0 ], [ 0, 0, -0.1818865 ] ]

-34.612941

[ 0, 0.004, 0, 0, 0 ]

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

0.002926

2.895473

pbe

true

7cfd0dd122043683c8495ea16d93c317_123_La2Co1Pd1N1

[ "La", "Rh", "Ru", "Si" ]

5

A2BCD

LaRhRuSi2

La1 Si2 Ru1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.19485784, 0, 0 ], [ 0, 4.19485784, 0 ], [ -2.09742892, -2.09742892, 5.06408949 ] ]

agm005018295

[ [ 0, 0, 0 ], [ 2.0974288990257106, 2.0974288990257106, 1.3452118186954005 ], [ 2.0974289375395426e-8, 2.0974289375395426e-8, 3.718877671304599 ], [ 2.0974289199999996, 0, 2.532044745 ], [ 0, 2.0974289199999996, 2.532044745 ] ]

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

[ "La", "Si", "Si", "Ru", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 4.687518, 0, 0 ], [ 0, 4.687518, 0 ], [ 0, 0, 4.359944 ] ]

-37.413028

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00484715 ], [ 0, 0, -0.00484715 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000018

2.732087

pbe

true

136ef2b4ff5c9ec53f17d1a790612407_119_La1Si2Ru1Rh1

[ "Cd", "Rh", "W" ]

4

A2BC

CdRhW2

Cd1 Rh1 W2

3

[ 1, 1, 1 ]

3

[ [ 2.80575969, 0, 0 ], [ 0, 2.80730002, -0.02757426 ], [ 0, 0.17022036, 8.40367438 ] ]

agm003885214

[ [ 0, 0.09345672195035819, 4.317009400515434 ], [ 1.402879845, 1.5203149718214972, 6.450954848729141 ], [ 0, 2.9363380193350945, 8.202865049243927 ], [ 1.402879845, 1.4900412268930499, 1.9832081315114989 ] ]

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

[ "Cd", "Rh", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 8.506987, 0, 0 ], [ 0, 8.398897, -0.04216044 ], [ 0, -0.04216008, 8.716953 ] ]

-33.55765

[ 0, 0, 0, 0 ]

[ [ 0, -0.00088045, 0.0056628 ], [ 0, -0.00330959, -0.00511399 ], [ 0, 0.00107877, -0.0032201 ], [ 0, 0.00311128, 0.00267129 ] ]

-0.000012

2.308996

pbe

true

37cf368dc86d0980bb417309c12fccf0_6_Cd1Rh1W2

[ "Al", "Er", "Zn" ]

8

A4B3C

Al3Er4Zn

Er4 Al3 Zn1

3

[ 1, 1, 1 ]

3

[ [ 3.64219299, 0, 0 ], [ 0, 4.45920795, 0 ], [ 0, 0, 11.55224838 ] ]

agm003554534

[ [ 1.821096495, 2.229603975, 3.935992422586171 ], [ 0, 2.229603975, 9.7732477608611 ], [ 0, 0, 1.7796967576262779 ], [ 1.821096495, 0, 7.595665923036219 ], [ 0, 2.229603975, 6.556227075621767 ], [ 0, 0, 4.989659365672883 ], [ 1.821096495, 0, 10.7870395771696 ], [ 1.821096495, 2.229603975, 0.7914645219034975 ] ]

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

[ "Er", "Er", "Er", "Er", "Al", "Al", "Al", "Zn" ]

2023-11-16 06:57:59

[ 0.375, 0.5, 0.125 ]

[ [ 0.6572201, 0, 0 ], [ 0, 0.51275074, 0 ], [ 0, 0, 0.4179325 ] ]

-33.668239

[ 0.03, 0.078, 0.043, 0.077, -0.001, 0, -0.001, 0 ]

[ [ 0, 0, 0.00270476 ], [ 0, 0, 0.00108579 ], [ 0, 0, 0.00026508 ], [ 0, 0, 0.00051311 ], [ 0, 0, -0.00424125 ], [ 0, 0, 0.00145987 ], [ 0, 0, -0.0030806 ], [ 0, 0, 0.00129325 ] ]

0.314794

7.05396

pbe

true

254539799423dd04eb19a97148f14bee_25_Er4Al3Zn1

[ "Mo", "Re", "V" ]

5

A2B2C

Mo2Re2V

V1 Re2 Mo2

3

[ 1, 1, 1 ]

3

[ [ 4.3940794, 0.01534159, 0.02416613 ], [ 2.17710584, 3.62653876, 1.22074761 ], [ -0.03052568, 0.99411387, 5.06317436 ] ]

agm005964199

[ [ 4.3635537106579605, 1.00946170362206, 5.08733784415473 ], [ 4.373894278452993, 1.8533554472271399, 2.555228884082487 ], [ 2.1667697460198068, 2.78263055626465, 3.7528517595801927 ], [ 2.1871097096521526, 0.9377939067786268, 1.2413421258966646 ], [ 4.353558516403927, 3.6982043203600328, 5.066766275133035 ] ]

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

[ "V", "Re", "Re", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 8.682268, -0.00249158, 0.00005101 ], [ -0.00249182, 8.783034, -0.0081027 ], [ 0.00005118, -0.00814708, 9.014596 ] ]

-56.092394

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0.0000278, -0.00224341, -0.00366682 ], [ -0.0000278, 0.00224341, 0.00366682 ], [ 0.0000054, -0.00047889, -0.00068121 ], [ -0.0000054, 0.00047889, 0.00068121 ] ]

-0.000067

3.974243

pbe

true

4dd052e5084c0ded2c953772b19b7bcf_166_V1Re2Mo2

[ "Bi", "Eu", "Pd" ]

3

ABC

BiEuPd

Eu1 Bi1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 3.73578432, 0, 0 ], [ 0, 3.73578432, 0 ], [ -1.86789216, -1.86789216, 5.6275844 ] ]

agm001849463

[ [ 1.8678921786789215, 1.8678921786789215, 1.4483726913724118 ], [ 1.867892178678922, 1.867892178678922, 4.733472496183588 ], [ 1.867892162294424e-8, 1.867892162294424e-8, 3.385036980999356 ] ]

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

[ "Eu", "Bi", "Pd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.82348, 0, 0 ], [ 0, 2.82348, 0 ], [ 0, 0, 2.7572393 ] ]

-20.847896

[ 6.918, 0.025, 0.019 ]

[ [ 0, 0, 0.00001304 ], [ 0, 0, 0.00284862 ], [ 0, 0, -0.00286166 ] ]

7.379112

5.705263

pbe

true

8642fcb491135186fcf283ff835efd3c_107_Eu1Bi1Pd1

[ "Cd", "Pm" ]

8

A3B

Cd3Pm

Pm2 Cd6

2

[ 1, 1, 1 ]

3

[ [ 4.85815994, 0, 0 ], [ -2.42907997, 5.58363386, 0 ], [ 0, 0, 7.32761906 ] ]

agm003296366

[ [ 2.4290823990799697, 1.00516297566027, 1.831904765 ], [ -0.000002429079970167879, 4.57847088433973, 5.495714295 ], [ 2.4290799699999996, 2.264183742984573, 5.495714295 ], [ -5.053807915652446e-18, 3.319450117015427, 1.831904765 ], [ -4.796554331865508e-17, 1.3797057645923747, 4.0410805706184005 ], [ 2.42907997, 4.203928095407625, 3.2865384893816 ], [ -4.796554331865508e-17, 1.3797057645923747, 6.950348019381599 ], [ 2.42907997, 4.203928095407625, 0.37727104061840017 ] ]

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

[ "Pm", "Pm", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 5.0606747, 0, 0 ], [ 0, 5.039859, 0 ], [ 0, 0, 5.0141034 ] ]

-17.304853

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

[ [ 0, -0.00203156, 0 ], [ 0, 0.00203156, 0 ], [ 0, 0.00051, 0 ], [ 0, -0.00051, 0 ], [ 0, -0.0013786, -0.00394972 ], [ 0, 0.0013786, 0.00394972 ], [ 0, -0.0013786, 0.00394972 ], [ 0, 0.0013786, -0.00394972 ] ]

-0

6.04902

pbe

true

3a27428cf220b8164f9cab181aed964d_63_Pm2Cd6

[ "Al", "Ca", "Na", "Pr" ]

4

ABCD

AlCaNaPr

Na1 Ca1 Pr1 Al1

4

[ 1, 1, 1 ]

3

[ [ 5.49193729, 0, 0 ], [ 2.74596865, 4.75615721, 0 ], [ 2.74596865, 1.58538574, 4.48414802 ] ]

agm001387718

[ [ 0, 0, 0 ], [ 2.7459686475000002, 1.5853857374999998, 1.121037005 ], [ 5.4919372950000005, 3.1707714749999996, 2.24207401 ], [ 8.2379059425, 4.7561572125, 3.3631110150000003 ] ]

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

[ "Pr", "Na", "Ca", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.57171065, 0, 0 ], [ 0, 0.57171065, 0 ], [ 0, 0, 0.57171065 ] ]

-12.100184

[ 0, 0, 0, 0 ]

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

-0.00001

3.47356

pbe

true

dae2ba1c43834d34493a1828159340f9_216_Na1Ca1Pr1Al1

[ "C", "H", "Mn", "Tm" ]

8

ABCD

CHMnTm

Tm2 Mn2 H2 C2

4

[ 1, 1, 1 ]

3

[ [ 3.3600912, 0, 0 ], [ 0, 3.3600912, 0 ], [ 0, 0, 7.65227488 ] ]

agm005203737

[ [ 1.6800456, 0, 5.229939844029366 ], [ 0, 1.6800456, 2.4223350359706335 ], [ 1.6800456, 1.6800456, 0 ], [ 0, 0, 0 ], [ 0, 0, 3.82613744 ], [ 1.6800456, 1.6800456, 3.82613744 ], [ 0, 1.6800456, 6.469774046340519 ], [ 1.6800456, 0, 1.1825008336594816 ] ]

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

[ "Tm", "Tm", "Mn", "Mn", "H", "H", "C", "C" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.47080594, 0, 0 ], [ 0, 0.47080594, 0 ], [ 0, 0, -0.09687115 ] ]

-55.850115

[ -0.072, -0.072, 1.179, 1.179, 0.001, 0.001, -0.056, -0.056 ]

[ [ 0, 0, -0.00298462 ], [ 0, 0, 0.00298462 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00436431 ], [ 0, 0, -0.00436431 ] ]

2.109039

3.847223

pbe

true

019999e43df720a0b1cf6da27f5d1a03_129_Tm2Mn2H2C2

[ "Cd", "Er", "Rb", "Se" ]

12

A3BCD

CdErRbSe3

Rb2 Er2 Cd2 Se6

4

[ 1, 1, 1 ]

3

[ [ 4.25895985, 0, 0 ], [ 0, 9.19953385, -0.48094564 ], [ 0, -2.92778025, 9.96928685 ] ]

agm005024768

[ [ 1.0647399625, 1.3027079537185662, 2.27133684690729 ], [ 3.1942198875, 4.969045646281435, 7.217004363092709 ], [ 1.0647399625, 5.761096307292757, 1.0038926464249134 ], [ 3.1942198875, 0.5106572927072438, 8.484448563575086 ], [ 1.0647399625, -1.0167168815098582, 6.060143525267321 ], [ 3.1942198875, 7.288470481509857, 3.428197684732679 ], [ 3.1942198875, 7.738352900642799, 0.8570721288945975 ], [ 1.0647399625, -1.4665993006428, 8.631269081105401 ], [ 1.0647399625, 5.787285982756575, 4.116638399694123 ], [ 3.1942198875, 0.48446761724342563, 5.371702810305877 ], [ 3.1942198875, 3.871332568852575, 1.2700257361885825 ], [ 1.0647399625, 2.4004210311474248, 8.218315473811417 ] ]

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

[ "Rb", "Rb", "Er", "Er", "Cd", "Cd", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 1.0595299, 0, 0 ], [ 0, 0.9049033, 0.03507479 ], [ 0, 0.03507478, 0.9917121 ] ]

-49.790342

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

[ [ 0, 0.00124749, -0.00496492 ], [ 0, -0.00124749, 0.00496492 ], [ 0, 0.00549749, -0.00099766 ], [ 0, -0.00549749, 0.00099766 ], [ 0, -0.00113706, -0.00477617 ], [ 0, 0.00113706, 0.00477617 ], [ 0, 0.00022445, 0.00120616 ], [ 0, -0.00022445, -0.00120616 ], [ 0, 0.00347225, -0.00006303 ], [ 0, -0.00347225, 0.00006303 ], [ 0, -0.00349154, -0.00275569 ], [ 0, 0.00349154, 0.00275569 ] ]

-0

0

pbe

true

8f275331e662e295b391f4ac47ea0f69_11_Rb2Er2Cd2Se6

[ "Al", "Mg", "Sr", "Zn" ]

10

A4B3C2D

AlMg3Sr2Zn4

Sr2 Mg3 Al1 Zn4

4

[ 1, 1, 1 ]

3

[ [ 4.46478378, 0, 0 ], [ 0, 4.46478378, 0 ], [ 0, 0, 11.8798878 ] ]

agm004535253

[ [ 2.23239189, 0, 3.057531237443364 ], [ 0, 2.23239189, 8.822356562556637 ], [ 0, 0, 5.9399439 ], [ 2.23239189, 0, 10.257615228007884 ], [ 0, 2.23239189, 1.622272571992116 ], [ 2.23239189, 2.23239189, 5.9399439 ], [ 2.23239189, 2.23239189, 0 ], [ 0, 0, 0 ], [ 2.23239189, 0, 7.502935950668994 ], [ 0, 2.23239189, 4.3769518493310064 ] ]

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

[ "Sr", "Sr", "Mg", "Mg", "Mg", "Al", "Zn", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.1, 0.3, 0.2, 0.4 ]

[ [ 1.7668238, 0, 0 ], [ 0, 1.7668238, 0 ], [ 0, 0, 1.3024458 ] ]

-18.408264

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

[ [ 0, 0, 0.00294475 ], [ 0, 0, -0.00294475 ], [ 0, 0, 0 ], [ 0, 0, 0.00648127 ], [ 0, 0, -0.00648127 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00768651 ], [ 0, 0, 0.00768651 ] ]

-0.000006

4.428209

pbe

true

4de2ea16dcb1198571ce28200aedf0ec_115_Sr2Mg3Al1Zn4

[ "Au", "Cr", "Ta", "W" ]

5

A2BCD

AuCr2TaW

Ta1 Cr2 W1 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.49721804, 0, 0 ], [ 0, 4.9144338, 0 ], [ 0, 0, 4.49721804 ] ]

agm001450350

[ [ 0, 0, 2.24860902 ], [ 2.24860902, 0, 0 ], [ 0, 0, 0 ], [ 0, 2.4572169, 0 ], [ 2.24860902, 2.4572169, 2.24860902 ] ]

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[ "Cr", "Cr", "Au", "W", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

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11.676992

pbe

true

7b5ff08d2765be8e3f2bac2827ee4aed_123_Ta1Cr2W1Au1

[ "Ba", "Ge", "K", "Sr" ]

5

A2BCD

BaGeKSr2

K1 Ba1 Sr2 Ge1

4

[ 1, 1, 1 ]

3

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agm001636444

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[ "K", "Sr", "Sr", "Ge", "Ba" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

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pbe

true

4bc2d7259dfe6a49258e175879362199_123_K1Ba1Sr2Ge1

[ "Li", "S", "Tl" ]

6

ABC

LiSTl

Li2 Tl2 S2

3

[ 1, 1, 1 ]

3

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agm001033132

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[ "S", "S", "Tl", "Tl", "Li", "Li" ]

2023-11-16 06:57:59

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0

pbe

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[ "Mg", "Pm", "Tb" ]

12

A3B2C

MgPm3Tb2

Tb4 Pm6 Mg2

3

[ 1, 1, 1 ]

3

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[ "Tb", "Tb", "Tb", "Tb", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Mg", "Mg" ]

2023-11-16 06:57:59

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0.000005

15.546301

pbe

true

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[ "Ni", "O", "Ta" ]

5

A3BC

Ni3OTa

Ta1 Ni3 O1

3

[ 1, 1, 1 ]

3

[ [ 4.45614293, 0, 0 ], [ 0, 4.45614293, 0 ], [ 0, 0, 4.45614293 ] ]

agm002565570

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[ "Ni", "Ni", "Ni", "O", "Ta" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

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4.581944

pbe

true

cfe7a1078aff77e9a48f79ba3858d3cf_221_Ta1Ni3O1

[ "Sn", "Tb", "Zn" ]

11

A8B2C

Sn2Tb8Zn

Tb8 Zn1 Sn2

3

[ 1, 1, 1 ]

3

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agm003528749

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[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Zn", "Sn", "Sn" ]

2023-11-16 06:57:59

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0.000051

9.699959

pbe

true

3430591716020ccc1714992d7166dba3_12_Tb8Zn1Sn2

[ "Ca", "Ir", "O", "Pd" ]

10

A6B2CD

Ca2IrO6Pd

Ca2 Ir1 Pd1 O6

4

[ 1, 1, 1 ]

3

[ [ 4.33667871, 0, 0 ], [ 0, 5.53675624, 0 ], [ 0, 0, 5.53675624 ] ]

agm004986367

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[ "Ca", "Ca", "Ir", "Pd", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.6, 0.1 ]

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1.402939

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pbe

true

309c424d2e27b293c137bad25e63066e_99_Ca2Ir1Pd1O6

[ "Ag", "Sc" ]

4

A3B

AgSc3

Sc3 Ag1

2

[ 1, 1, 1 ]

3

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agm003964001

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[ "Ag", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

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[ 0.001, 0.021, 0.034, 0.021 ]

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0.108299

6.716925

pbe

true

e531f9740f29c105f6f9dbdb823e0d3e_225_Sc3Ag1

[ "As", "Co", "Np" ]

20

A5B3C2

As3Co5Np2

Np4 Co10 As6

3

[ 1, 1, 1 ]

3

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agm005620600

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[ "Np", "Np", "Np", "Np", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

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[ "As", "Er", "Pb" ]

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A8B2C

AsEr8Pb2

Er8 As1 Pb2

3

[ 1, 1, 1 ]

3

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[ "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "As", "Pb", "Pb" ]

2023-11-16 06:57:59

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pbe

true

0a03f961ce7dd894c49332da2b0c6cf6_12_Er8As1Pb2

[ "As", "O", "Th" ]

3

ABC

AsOTh

Th1 As1 O1

3

[ 1, 1, 1 ]

3

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agm001260021

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[ "As", "O", "Th" ]

2023-11-16 06:57:59

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2.20534

pbe

true

4e5636df85706663d957685cc8968c53_187_Th1As1O1

[ "Ca", "Fe", "Zr" ]

4

A2BC

CaFeZr2

Ca1 Zr2 Fe1

3

[ 1, 1, 1 ]

3

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agm004227381

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[ "Ca", "Fe", "Zr", "Zr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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pbe

true

3e7691f6017aa54045c3e7ec62953080_119_Ca1Zr2Fe1

[ "Co", "Fe", "Ir" ]

28

A3B3C

Co3Fe3Ir

Fe12 Co12 Ir4

3

[ 1, 1, 1 ]

3

[ [ 7.06619748, 0, 0 ], [ 0, 7.06619748, -0.00000103 ], [ 0, -0.00000103, 7.06619748 ] ]

agm005973628

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[ "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]

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53.96614

34.96493

pbe

true

e6c2d315fffef87646a51ecec67a091e_198_Fe12Co12Ir4

[ "Cr", "Ge", "Nd" ]

4

A2BC

CrGe2Nd

Nd1 Cr1 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.24219802, 0, 0 ], [ 2.12109901, 3.67385126, 0 ], [ 2.12109901, 1.22461709, 5.23469163 ] ]

agm001926412

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[ "Cr", "Ge", "Ge", "Nd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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-25.131875

[ 2.714, -0.053, -0.053, -0.066 ]

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2.702334

2.331348

pbe

true

b163abeafea247b11e903fa8bdb5f960_166_Nd1Cr1Ge2

[ "Er", "La", "Y" ]

9

A6B2C

ErLa6Y2

La6 Y2 Er1

3

[ 1, 1, 1 ]

3

[ [ 3.711542, -0.0004501, 0.00061018 ], [ 0.0004357, 9.22281313, 4.20128616 ], [ -0.00143102, 1.68442335, 9.99368687 ] ]

agm005601651

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

[ "La", "La", "La", "La", "La", "La", "Y", "Y", "Er" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

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-46.047444

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0

13.212014

pbe

true

557d963ca30334c84cd41cd06632e976_65_La6Y2Er1

[ "Ga", "La", "Nd" ]

16

A3B3C2

Ga2La3Nd3

La6 Nd6 Ga4

3

[ 1, 1, 1 ]

3

[ [ 4.51841535, 0, 0 ], [ -2.25920767, 6.04701348, 0 ], [ 0, 0, 18.42809661 ] ]

agm003331282

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

[ "La", "La", "La", "La", "La", "La", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.375, 0.375 ]

[ [ 0.864478, 0, 0 ], [ 0, 0.79226106, 0 ], [ 0, 0, 0.8044801 ] ]

-73.926729

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

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0.001238

23.6005

pbe

true

1047205fce74d0f69281e9369c21a996_63_La6Nd6Ga4

[ "Ge", "Pt", "W" ]

10

A2B2C

GePt2W2

Ge2 Pt4 W4

3

[ 1, 1, 1 ]

3

[ [ 6.5678858, 0, 0 ], [ 0, 6.5678858, 0 ], [ 0, 0, 3.9964905 ] ]

agm002981347

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

[ "Ge", "Ge", "W", "W", "W", "W", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 3.931575, 0, 0 ], [ 0, 3.931575, 0 ], [ 0, 0, 4.028636 ] ]

-83.442828

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-0.000007

7.818802

pbe

true

1bfb04dbff649608cb3d5a40a82c0e96_127_Ge2Pt4W4

[ "Hg", "Li", "Pd" ]

9

A6B2C

HgLi2Pd6

Li2 Hg1 Pd6

3

[ 1, 1, 1 ]

3

[ [ 3.78509353, 0, -1.13189966 ], [ -0.60276338, 5.86357358, -2.01565153 ], [ -0.1846576, 0.10359206, 6.27716071 ] ]

agm005675709

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

[ "Li", "Li", "Hg", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.6666666666666666 ]

[ [ 7.813697, 0.00716887, 0.10861419 ], [ 0.00716877, 7.7736917, 0.02397201 ], [ 0.10861419, 0.02397234, 8.144422 ] ]

-37.677485

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

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0

5.838347

pbe

true

7806b85baa87dc8e9dededdd23c4c1dc_12_Li2Hg1Pd6

[ "Ir", "Pr", "Si" ]

28

A3B2C2

Ir2Pr3Si2

Pr12 Si8 Ir8

3

[ 1, 1, 1 ]

3

[ [ 5.89920529, 0, 0 ], [ 0, 7.99234208, 0 ], [ 0, 0, 13.36114665 ] ]

agm005556382

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.42857142857142855, 0.2857142857142857 ]

[ [ 1.9358732, 0, 0 ], [ 0, 2.1483402, 0 ], [ 0, 0, 1.7743741 ] ]

-194.584978

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-0.000043

19.628464

pbe

true

966ed2f39ca33f5d0159aadedea0793d_57_Pr12Si8Ir8

[ "B", "H", "Ni" ]

7

A4B2C

BH2Ni4

Ni4 B1 H2

3

[ 1, 1, 1 ]

3

[ [ 3.80190728, 0, 0 ], [ 0, 3.80190728, 0 ], [ 1.90095364, 1.90095364, 4.13405286 ] ]

agm001075263

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

[ "Ni", "Ni", "Ni", "Ni", "B", "H", "H" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ -10.354745, 0, 0 ], [ 0, -10.354745, 0 ], [ 0, 0, -11.219433 ] ]

-34.996021

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

[ [ 0, 0, -0.00241119 ], [ 0, 0, 0.00241119 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00602894 ], [ 0, 0, 0.00602894 ] ]

-0.000089

4.535873

pbe

true

f04394ac91ddee2bdb1dea278712e60a_139_Ni4B1H2

[ "Mo", "Re", "V" ]

4

A2BC

Mo2ReV

V1 Re1 Mo2

3

[ 1, 1, 1 ]

3

[ [ 4.69463017, -1.66973543, -2.75144582 ], [ -1.53208345, 4.74133833, 2.75144582 ], [ -3.1812849, 0.11158313, 4.71858014 ] ]

agm005265837

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

[ "V", "Re", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 6.187848, 0.07914589, -0.17704342 ], [ 0.07914589, 6.1832285, 0.18228531 ], [ -0.17704342, 0.18228531, 6.1568165 ] ]

-40.250865

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0.000002

3.375042

pbe

true

b659202edb22863682195fc5cd8cfefe_71_V1Re1Mo2

[ "H", "Lu" ]

2

AB

HLu

H1 Lu1

2

[ 1, 1, 1 ]

3

[ [ 3.222265, 0, 0 ], [ -1.611132, 2.790555, 0 ], [ 0, 0, 3.177868 ] ]

oqmd-4145080

[ [ 1.6111399999999991, 0.930190000000001, 2.383399999999998 ], [ 1.151280552373161e-16, 1.8603700000000007, 0.7944599999999988 ] ]

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

[ "H", "Lu" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 12.5675, 0.12049, 0 ], [ 0.12049, 12.13611, 0 ], [ 0, 0, 17.5844 ] ]

-8.0932

[ 0, 0.001 ]

[ [ 0.003145, 0.005448, 0 ], [ -0.003145, -0.005448, 0 ] ]

0.000279

null

pbe

true

3f4c7f3ed18b07303d267b2a139752e7_187_Lu1H1

[ "Ag", "H", "Hg", "Pt" ]

5

A2BCD

AgHHgPt2

Ag1 Hg1 H1 Pt2

4

[ 1, 1, 1 ]

3

[ [ 4.02111565, 0, 0 ], [ 0, 4.02111565, 0 ], [ 0, 0, 4.50700453 ] ]

agm001620612

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

[ "Ag", "Hg", "Pt", "Pt", "H" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 10.583297, 0, 0 ], [ 0, 10.583297, 0 ], [ 0, 0, 10.7649145 ] ]

-17.989303

[ 0, 0, 0, 0, 0 ]

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

0

2.10909

pbe

true

2f04845ed0959624b619e5b041ab9f30_123_Ag1Hg1H1Pt2

[ "Ba", "Co", "F", "Li" ]

36

A6BCD

BaCoF6Li

Ba1 Co1 F6 Li1

4

[ 1, 1, 1 ]

3

[ [ 5.435487, 0, -0.008334 ], [ 0, 9.971329, 0 ], [ -0.158008, 0, 8.174963 ] ]

oqmd-2074694

[ [ 3.7269200000000025, 7.935710000000004, 0.04560999999999995 ], [ 1.629559999999998, 2.950040000000005, 4.033549999999998 ], [ 3.647909999999998, 7.021290000000002, 4.133089999999998 ], [ 1.5505600000000024, 2.0356200000000033, 8.121020000000001 ], [ 4.180360000000001, 4.213889999999997, 1.911209999999997 ], [ 1.1761099999999978, 9.199559999999996, 2.167930000000001 ], [ 4.101359999999999, 0.7717700000000004, 5.998700000000002 ], [ 1.0971100000000016, 5.757440000000001, 6.255409999999998 ], [ 3.65995, 4.102269999999996, 0.14014000000000004 ], [ 0.758419999999999, 8.937599999999994, 0.34111000000000025 ], [ 2.7931099999999995, 0.0020199999999999975, 1.440900000000003 ], [ 0.5798500000000025, 3.777369999999996, 1.508779999999997 ], [ 4.788929999999998, 6.0847799999999985, 1.7529900000000018 ], [ 3.3541299999999996, 2.432820000000002, 2.031799999999999 ], [ 2.0023500000000016, 7.418480000000001, 2.047349999999999 ], [ 0.5675500000000026, 1.0991099999999991, 2.3261699999999967 ], [ 4.776640000000001, 8.763030000000004, 2.570359999999999 ], [ 2.563379999999998, 4.987680000000003, 2.638250000000002 ], [ 4.598069999999999, 3.951929999999995, 3.738040000000001 ], [ 1.6965399999999975, 9.087930000000004, 3.939009999999997 ], [ 3.580940000000002, 0.8833899999999998, 4.227619999999997 ], [ 0.6794199999999974, 6.019400000000002, 4.42859 ], [ 2.714109999999998, 4.983640000000003, 5.528379999999999 ], [ 0.5008500000000007, 1.208290000000002, 5.596260000000001 ], [ 4.709919999999999, 8.872219999999999, 5.84047 ], [ 3.275120000000001, 2.552839999999996, 6.119279999999997 ], [ 1.9233400000000025, 7.538509999999995, 6.134839999999997 ], [ 0.4885399999999984, 3.88656, 6.413650000000002 ], [ 4.697630000000003, 6.193960000000001, 6.657849999999997 ], [ 2.4843699999999993, 9.969310000000002, 6.7257299999999995 ], [ 4.5190600000000005, 1.0337300000000027, 7.825519999999999 ], [ 1.6175400000000013, 5.869060000000001, 8.02649 ], [ 1.193750000000002, 5.736399999999995, 1.62156 ], [ 4.16273, 0.7507399999999997, 2.457579999999997 ], [ 1.1147400000000025, 9.22059, 5.709049999999999 ], [ 4.083729999999998, 4.234930000000002, 6.545060000000002 ] ]

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

[ "Ba", "Ba", "Ba", "Ba", "Co", "Co", "Co", "Co", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "Li", "Li", "Li", "Li" ]

2024-11-01 00:00:00

[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]

[ [ 18.51333, 0.0075, 12.51306 ], [ 0.0075, 5.39599, 0.00249 ], [ 12.51306, 0.00249, 51.07646 ] ]

-186.295

[ 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 ]

[ [ 0.030677, 0.004344, 0.008898 ], [ -0.030753, 0.004946, -0.009131 ], [ 0.030789, -0.004956, 0.009166 ], [ -0.030759, -0.004387, -0.008996 ], [ -0.068448, -0.116773, 0.675999 ], [ 0.068853, -0.116937, -0.675741 ], [ -0.068613, 0.116898, 0.675769 ], [ 0.068759, 0.116752, -0.675551 ], [ 0.152939, 0.193396, 0.288922 ], [ 0.152012, 0.263333, 0.540039 ], [ -0.833969, -0.492687, 0.620056 ], [ -1.176772, 0.073794, 0.15342 ], [ -0.341264, -1.1357, 0.180842 ], [ 0.6845, 1.134018, -0.076565 ], [ -0.684458, 1.134197, 0.076582 ], [ 0.341249, -1.135696, -0.181124 ], [ 1.176664, 0.073866, -0.15317 ], [ 0.83385, -0.492573, -0.620074 ], [ -0.15202, 0.263269, -0.540536 ], [ -0.152935, 0.193445, -0.288917 ], [ 0.152901, -0.193448, 0.288935 ], [ 0.151935, -0.263232, 0.540499 ], [ -0.834028, 0.492646, 0.620091 ], [ -1.176799, -0.073881, 0.153248 ], [ -0.341212, 1.135674, 0.181073 ], [ 0.684497, -1.134098, -0.076549 ], [ -0.684488, -1.133968, 0.076477 ], [ 0.341281, 1.135606, -0.180897 ], [ 1.176763, -0.073769, -0.153463 ], [ 0.833904, 0.492686, -0.62004 ], [ -0.15205, -0.26331, -0.540077 ], [ -0.153069, -0.193419, -0.289185 ], [ -0.043063, -0.078071, -0.185305 ], [ 0.043076, -0.077911, 0.185263 ], [ -0.043007, 0.077879, -0.18523 ], [ 0.043059, 0.078067, 0.18527 ] ]

0.000003

null

pbe

false

23ca9a209d4abfee13c35d56b3f04488_14_Ba4Li4Co4F24

[ "Ag", "Cs", "Mn", "Se" ]

12

A3BCD

AgCsMnSe3

Ag1 Cs1 Mn1 Se3

4

[ 1, 1, 1 ]

3

[ [ 10.501276, 0, 0 ], [ 0, 1.912627, 8.112373 ], [ 0, -1.912627, 8.112373 ] ]

oqmd-4543696

[ [ 0, -5.154602854767756e-17, 7.356439999999993 ], [ 5.2506400000000015, -3.834851868640957e-17, 8.868320000000008 ], [ 5.2506400000000015, 2.9869269656240073e-18, 3.989060000000008 ], [ 0, -2.7669971335395938e-17, 12.235699999999994 ], [ 2.6253200000000008, 0, 0 ], [ 7.875960000000002, 0, 0 ], [ 0, -4.448365740978751e-19, 1.0273599999999998 ], [ 2.4046599999999985, 3.381504762482849e-18, 6.415830000000005 ], [ 8.096620000000005, 3.381504762482849e-18, 6.415830000000005 ], [ 2.845989999999998, 2.2596426282474358e-17, 9.808929999999997 ], [ 7.655290000000004, 2.2596426282474358e-17, 9.808929999999997 ], [ 5.2506400000000015, -1.0642532601783963e-16, 15.197399999999998 ] ]

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

[ "Ag", "Ag", "Cs", "Cs", "Mn", "Mn", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 6.55902, 0, 0 ], [ 0, 2.45178, 0 ], [ 0, 0, 4.37279 ] ]

-52.0429

[ -0.014, -0.014, 0.002, 0.002, 3.493, 3.495, -0.149, -0.11, -0.11, -0.109, -0.109, -0.151 ]

[ [ 0, 0, -0.022603 ], [ 0, 0, 0.022603 ], [ 0, 0, 0.026186 ], [ 0, 0, -0.026186 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.046272 ], [ -0.013085, 0, 0.049396 ], [ 0.013085, 0, 0.049396 ], [ 0.013085, 0, -0.049396 ], [ -0.013085, 0, -0.049396 ], [ 0, 0, 0.046272 ] ]

6.30152

null

pbe

false

f1b9ca6be398ef415b236896306561b7_63_Cs2Mn2Ag2Se6

[ "La", "Mn", "O", "Pr" ]

11

A6B2C2D

LaMn2O6Pr2

La1 Mn2 O6 Pr2

4

[ 1, 1, 1 ]

3

[ [ -1.982415274, 1.982415274, 9.683520599 ], [ 1.982415274, -1.982415274, 9.683520599 ], [ 1.982415274, 1.982415274, -9.683520599 ] ]

oqmd-10011998

[ [ 0, 0, 0 ], [ -4.4180447227266056e-17, 4.4180447227266056e-17, 7.96359 ], [ -4.1362934343281e-17, 4.1362934343281e-17, 11.40345 ], [ 5.1661083655839374e-17, -5.1661083655839374e-17, 5.71628 ], [ 8.484013969864487e-17, -8.484013969864487e-17, 13.65076 ], [ -6.210204950587486e-17, 1.9824200000000003, 1.7641200000000006 ], [ 2.709648578816721e-16, 1.98242, 7.9194 ], [ 1.9824200000000003, -6.210204950587486e-17, 1.7641199999999997 ], [ 1.98242, 2.709648578816721e-16, 7.9194 ], [ 2.755978686960058e-17, -2.755978686960058e-17, 3.4462199999999994 ], [ -5.661586882454357e-17, 5.661586882454357e-17, 15.92082 ] ]

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

[ "La", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "Pr", "Pr" ]

2024-11-01 00:00:00

[ 0.09090909090909093, 0.18181818181818185, 0.5454545454545454, 0.18181818181818185 ]

[ [ 66.16188922, 0, 0 ], [ 0, 66.16188922, 0 ], [ 0, 0, 40.70070928 ] ]

-86.4025

[ -0.084, 4.321, 4.321, 0.03, 0.03, 0.035, 0.027, 0.027, 0.035, 0.017, 0.017 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.01874 ], [ 0, 0, -0.01874 ], [ 0, 0, -0.046474 ], [ 0, 0, 0.046474 ], [ 0, 0, 0.004396 ], [ 0, 0, -0.004396 ], [ 0, 0, 0.004396 ], [ 0, 0, -0.004396 ], [ 0, 0, -0.081487 ], [ 0, 0, 0.081487 ] ]

8.89717

null

pbe

false

918730fc9ccb7b282cc8b0d76058e354_139_La1Pr2Mn2O6