LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "B", "Si", "Ti" ]

6

A4BC

B4SiTi

B4 Si1 Ti1

3

[ 1, 1, 1 ]

3

[ [ 2.99447474, 0, 0 ], [ -1.49723737, 2.593291196, 0 ], [ 0, 0, 6.857778018 ] ]

oqmd-5876979

[ [ 1.49724, 0.8644299999999999, 1.77339 ], [ -4.3637384592282715e-17, 1.7288599999999998, 1.77339 ], [ 1.49724, 0.8644299999999999, 5.08439 ], [ -4.3637384592282715e-17, 1.7288599999999998, 5.08439 ], [ 0, 0, 0 ], [ 0, 0, 3.42889 ] ]

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

[ "B", "B", "B", "B", "Si", "Ti" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 9.85195901, 0, 0 ], [ 0, 9.85195901, 0 ], [ 0, 0, 11.04215007 ] ]

-41.1723

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

[ [ 0, 0, 0.002278 ], [ 0, 0, 0.002278 ], [ 0, 0, -0.002278 ], [ 0, 0, -0.002278 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001081

null

pbe

false

c09d3558ee6935547eaea8d1a5b56135_191_Ti1Si1B4

[ "Ag", "Cu", "Ru", "Zn" ]

4

ABCD

AgCuRuZn

Ag1 Cu1 Ru1 Zn1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.075568, 3.075568 ], [ 3.075568, 0, 3.075568 ], [ 3.075568, 3.075568, 0 ] ]

oqmd-2587103

[ [ 3.07557, 3.07557, 3.07557 ], [ 4.6133500000000005, 4.6133500000000005, 4.6133500000000005 ], [ 1.5377899999999989, 1.5377899999999989, 1.5377899999999989 ], [ 0, 0, 0 ] ]

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

[ "Ag", "Cu", "Ru", "Zn" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 13.20526, 0, 0 ], [ 0, 13.20526, 0 ], [ 0, 0, 13.20526 ] ]

-15.7957

[ 0, 0, 0, 0 ]

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

-0.028822

null

pbe

false

76fdee27eddcdad7a24c4729c46910ea_216_Zn1Cu1Ag1Ru1

[ "Au", "In", "Nd", "Pt", "Tb" ]

9

A3B2C2DE

Au2In3NdPtTb2

Au2 In3 Nd1 Pt1 Tb2

5

[ 1, 1, 1 ]

3

[ [ 4.003709009, 0, 0 ], [ 0, 6.743888718, 3.87847728 ], [ 0, -6.743888718, 3.87847728 ] ]

oqmd-6907200

[ [ 2.00185, 2.2878999999999996, 3.86763 ], [ 2.00185, -2.2878999999999996, 3.86763 ], [ 2.00185, 5.01552, 2.9033900000000004 ], [ 2.00185, 5.240185320932641e-17, 1.96381 ], [ 2.00185, -5.01552, 2.9033900000000004 ], [ 0, 1.8712014308566931e-16, 4.63206 ], [ 0, 1.4465738052065141e-18, 0.028160000000000004 ], [ 0, 4.03983, 5.43086 ], [ 0, -4.03983, 5.430860000000001 ] ]

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

[ "Au", "Au", "In", "In", "In", "Nd", "Pt", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.3333333333333333, 0.1111111111111111, 0.1111111111111111, 0.2222222222222222 ]

[ [ 10.30303841, 0, 0 ], [ 0, 8.95567057, 0 ], [ 0, 0, 8.62996757 ] ]

-42.2638

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

[ [ 0, 0.005613, 0.005579 ], [ 0, -0.005613, 0.005579 ], [ 0, 0.068727, -0.026484 ], [ 0, 0, 0.045516 ], [ 0, -0.068727, -0.026484 ], [ 0, 0, -0.042947 ], [ 0, 0, 0.004383 ], [ 0, -0.02809, 0.017429 ], [ 0, 0.02809, 0.017429 ] ]

-0.004063

null

pbe

true

e7b592e9b17cc646a0d1c32e759159c6_38_Tb2Nd1In3Pt1Au2

[ "Dy", "Ho", "O" ]

6

A3B2C

Dy2HoO3

Dy2 Ho1 O3

3

[ 1, 1, 1 ]

3

[ [ 3.38920683, 0, 0 ], [ -1.694603415, 2.935139213, 0 ], [ 0, 0, 8.253401638 ] ]

oqmd-9365044

[ [ 5.542093085387937e-17, 1.95676, 1.3759 ], [ 1.6946, 0.97838, 6.8775 ], [ 0, 0, 4.1267 ], [ 0, 0, 0 ], [ 1.6946, 0.97838, 2.78576 ], [ 5.542093085387937e-17, 1.95676, 5.46764 ] ]

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

[ "Dy", "Dy", "Ho", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 27.19158668, 0, 0 ], [ 0, 27.19158668, 0 ], [ 0, 0, 34.71289744 ] ]

-45.388

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

[ [ 0, 0, 0.016304 ], [ 0, 0, -0.016304 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.020063 ], [ 0, 0, -0.020063 ] ]

-0.012121

null

pbe

true

9c810e71b98f5dca186ccf2a897962e3_164_Dy2Ho1O3

[ "Fe", "Ge", "La" ]

3

ABC

FeGeLa

Fe1 Ge1 La1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.444577, 3.444577 ], [ 3.444577, 0, 3.444577 ], [ 3.444577, 3.444577, 0 ] ]

oqmd-3377303

[ [ 1.7222899999999983, 1.7222899999999983, 1.7222899999999983 ], [ 5.16686, 5.16686, 5.16686 ], [ 0, 0, 0 ] ]

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

[ "Fe", "Ge", "La" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.12523, 0, 0 ], [ 0, 1.12523, 0 ], [ 0, 0, 1.12523 ] ]

-15.9051

[ 0, 0, 0 ]

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

3.14175

null

pbe

true

aee44de63cdeae51f1954dec66a280ac_216_La1Fe1Ge1

[ "B", "C", "Pd", "Y" ]

14

A4B4C3D3

B4C3Pd4Y3

B4 C3 Pd4 Y3

4

[ 1, 1, 1 ]

3

[ [ -1.884253467, 1.884253467, 13.155205961 ], [ 1.884253467, -1.884253467, 13.155205961 ], [ 1.884253467, 1.884253467, -13.155205961 ] ]

oqmd-8912484

[ [ -1.133650556911213e-17, 1.133650556911213e-17, 3.946320000000001 ], [ 3.6683996153933826e-17, -3.6683996153933826e-17, 11.67574 ], [ -4.70705067451566e-17, 4.70705067451566e-17, 14.63468 ], [ -1.1900451617824194e-17, 1.1900451617824194e-17, 22.3641 ], [ -8.473027181934484e-18, 8.473027181934484e-18, 5.421579999999999 ], [ -1.1618478593468162e-17, 1.1618478593468162e-17, 13.15521 ], [ -1.0972317422287555e-16, 1.0972317422287555e-16, 20.88884 ], [ -9.865016442898368e-17, 1.88425, 2.6668 ], [ 1.2339444049604763e-16, 1.88425, 10.4884 ], [ 1.88425, 1.2372138033531963e-17, 2.6668 ], [ 1.88425, 2.3441674295856333e-16, 10.4884 ], [ 0, 0, 0 ], [ 8.962167228905688e-18, -8.962167228905688e-18, 7.81137 ], [ -1.9348677820128458e-17, 1.9348677820128458e-17, 18.49905 ] ]

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

[ "B", "B", "B", "B", "C", "C", "C", "Pd", "Pd", "Pd", "Pd", "Y", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.2857142857142857, 0.21428571428571427, 0.2857142857142857, 0.21428571428571427 ]

[ [ 6.90772, 0, 0 ], [ 0, 6.90772, 0 ], [ 0, 0, 4.72137 ] ]

-101.612

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

[ [ 0, 0, 0.051255 ], [ 0, 0, 0.026311 ], [ 0, 0, -0.026311 ], [ 0, 0, -0.051255 ], [ 0, 0, -0.009884 ], [ 0, 0, 0 ], [ 0, 0, 0.009884 ], [ 0, 0, 0.028708 ], [ 0, 0, -0.028708 ], [ 0, 0, 0.028708 ], [ 0, 0, -0.028708 ], [ 0, 0, 0 ], [ 0, 0, 0.022187 ], [ 0, 0, -0.022187 ] ]

0.000819

null

pbe

true

2dd2c34b246244d4f64791e79dd45586_139_Y3B4Pd4C3

[ "Cd", "Cu", "Gd", "Mg", "Pt" ]

9

A3B2C2DE

CdCuGd3Mg2Pt2

Cd1 Cu1 Gd3 Mg2 Pt2

5

[ 1, 1, 1 ]

3

[ [ 3.940560819, 0, 0 ], [ 0, 6.533499059, 3.781868811 ], [ 0, -6.533499059, 3.781868811 ] ]

oqmd-9903975

[ [ 0, 2.294974685888303e-16, 5.76034 ], [ 1.9702800000000005, 1.4582731233556377e-18, 0.08115000000000001 ], [ 1.9702800000000005, 5.1576695148757616e-17, 3.1920800000000003 ], [ 1.9702800000000005, 2.66504, 5.963090000000001 ], [ 1.9702800000000005, -2.66504, 5.963090000000001 ], [ 0, 1.604789034429964, 0.928920558913252 ], [ 0, -1.604789034429964, 0.928920558913252 ], [ 0, 2.2223999999999995, 3.71859 ], [ 0, -2.2224, 3.71859 ] ]

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

[ "Cd", "Cu", "Gd", "Gd", "Gd", "Mg", "Mg", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.1111111111111111, 0.1111111111111111, 0.3333333333333333, 0.2222222222222222, 0.2222222222222222 ]

[ [ 7.1189685, 0, 0 ], [ 0, 5.28087893, 0 ], [ 0, 0, 4.69396436 ] ]

-40.3536

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

[ [ 0, 0, 0.019664 ], [ 0, 0, 0.01161 ], [ 0, 0, -0.001868 ], [ 0, 0.005987, 0.006275 ], [ 0, -0.005987, 0.006275 ], [ 0, -0.030189, -0.015563 ], [ 0, 0.030189, -0.015563 ], [ 0, -0.002993, -0.005415 ], [ 0, 0.002993, -0.005415 ] ]

-0.010134

null

pbe

true

5ae4ea19ebac4cf979b21df0cf1ccf91_38_Gd3Mg2Cd1Cu1Pt2

[ "Ca", "Pt", "Zn" ]

4

A2BC

CaPt2Zn

Ca1 Pt2 Zn1

3

[ 1, 1, 1 ]

3

[ [ 2.329285, 1.344813, 3.803707 ], [ -2.329285, 1.344813, 3.803707 ], [ 0, -2.689627, 3.803707 ] ]

oqmd-4069765

[ [ -1.222494373255464e-17, 1.738372956919178e-16, 2.8527799999999957 ], [ -5.174085466142345e-19, 7.413500531889273e-16, 5.70557 ], [ 8.000096075016203e-17, -1.7722898918672924e-15, 8.558349999999999 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Pt", "Pt", "Zn" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 4.32363, 0, 0 ], [ 0, 4.32363, 0 ], [ 0, 0, 4.32363 ] ]

-17.178

[ 0, 0, 0, 0 ]

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

0.005838

null

pbe

false

49b9dffa7fbc66439c711dfe8f904e0a_216_Ca1Zn1Pt2

[ "Hg", "Tb", "Tl" ]

3

ABC

HgTbTl

Hg1 Tb1 Tl1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.492669, 3.492669 ], [ 3.492669, 0, 3.492669 ], [ 3.492669, 3.492669, 0 ] ]

oqmd-2912570

[ [ 1.7463300000000024, 1.7463300000000024, 1.7463300000000024 ], [ 5.238999999999999, 5.238999999999999, 5.238999999999999 ], [ 0, 0, 0 ] ]

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

[ "Hg", "Tb", "Tl" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 8.24555, 0, 0 ], [ 0, 8.24555, 0 ], [ 0, 0, 8.24555 ] ]

-7.82251

[ 0, 0, 0 ]

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

-0.000165

null

pbe

true

e5389de1361a477ad409d40daea0ddcc_216_Tb1Tl1Hg1

[ "Cl", "Cu" ]

3

A2B

Cl2Cu

Cl2 Cu1

2

[ 1, 1, 1 ]

3

[ [ 1.751308212, 1.011118268, 5.874916001 ], [ -1.751308212, 1.011118268, 5.874916001 ], [ 0, -2.022236535, 5.874916001 ] ]

oqmd-7907494

[ [ -1.0581341728822838e-17, -6.511268234321796e-17, 4.53373 ], [ 6.363715991726161e-17, -1.8120983470515187e-16, 13.09102 ], [ 0, 0, 0 ] ]

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

[ "Cl", "Cl", "Cu" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 9.3538186, 0, 0 ], [ 0, 9.3538186, 0 ], [ 0, 0, 7.65090781 ] ]

-8.56765

[ 0, 0, 0 ]

[ [ 0, 0, -0.035995 ], [ 0, 0, 0.035995 ], [ 0, 0, 0 ] ]

null

pbe

true

252686197b1c3793a0b5ff752a17a5f8_166_Cu1Cl2

[ "Ca", "N", "Tb" ]

18

A4B4C

Ca4N4Tb

Ca4 N4 Tb1

3

[ 1, 1, 1 ]

3

[ [ 6.176767725, 0, 0 ], [ 2.201423925, 5.787198825, 0 ], [ 0.984692451, 2.93200679, 8.953536413 ] ]

oqmd-8966055

[ [ 5.166179999999998, 1.4566499999999998, 0.02698 ], [ 2.24696, 1.6012900000000003, 1.9127 ], [ 3.14225, 4.27102, 3.695310000000001 ], [ 5.104599999999999, 1.5449799999999998, 3.77883 ], [ 4.25829, 7.174229999999998, 5.174709999999999 ], [ 6.220629999999999, 4.44819, 5.25823 ], [ 7.11592, 7.11792, 7.04083 ], [ 4.1967, 7.26256, 8.92656 ], [ 7.09931, 4.89675, 0.12004 ], [ 4.20938, 2.9577099999999996, 1.73203 ], [ 5.277809999999999, 5.79107, 3.47081 ], [ 7.19929, 2.93743, 3.51082 ], [ 2.16359, 5.78177, 5.44272 ], [ 4.08507, 2.92813, 5.48272 ], [ 5.153499999999999, 5.7615, 7.2215 ], [ 2.26358, 3.82246, 8.8335 ], [ 6.064, 4.233819999999999, 2.018 ], [ 3.29888, 4.48538, 6.93554 ] ]

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

[ "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "Ca", "N", "N", "N", "N", "N", "N", "N", "N", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.4444444444444444, 0.4444444444444444, 0.1111111111111111 ]

[ [ 17.10831335, -0.38736858, 1.13677977 ], [ -0.38736858, 18.13965363, -0.40580886 ], [ 1.13677977, -0.40580886, 16.82742421 ] ]

-107.213

[ 0.024, 0.016, 0.01, 0.009, 0.009, 0.01, 0.016, 0.024, 0.363, 0.13, 0.085, 0.095, 0.095, 0.085, 0.13, 0.363, 0.046, 0.046 ]

[ [ 0.020555, 0.002404, 0.008427 ], [ 0.000904, 0.010667, -0.000801 ], [ -0.007612, 0.008412, 0.008646 ], [ 0.003798, 0.004055, 0.0079 ], [ -0.003798, -0.004055, -0.0079 ], [ 0.007612, -0.008412, -0.008646 ], [ -0.000904, -0.010667, 0.000801 ], [ -0.020555, -0.002404, -0.008427 ], [ 0.014555, 0.007283, 0.021334 ], [ 0.008058, -0.002651, -0.002693 ], [ 0.018108, -0.006672, -0.002344 ], [ 0.007744, -0.013283, -0.023306 ], [ -0.007744, 0.013283, 0.023306 ], [ -0.018108, 0.006672, 0.002344 ], [ -0.008058, 0.002651, 0.002693 ], [ -0.014555, -0.007283, -0.021334 ], [ 0.005071, -0.018016, 0.022793 ], [ -0.005071, 0.018016, -0.022793 ] ]

2.00098

null

pbe

false

71d8a16b55e92bbcd730d4883a74a990_2_Ca8Tb2N8

[ "Cu", "Dy", "K", "Se" ]

24

A3BCD

CuDyKSe3

Cu1 Dy1 K1 Se3

4

[ 1, 1, 1 ]

3

[ [ 10.764550228, 0, 0 ], [ 0, 4.02896255, 0 ], [ 0, 0, 14.827801091 ] ]

oqmd-5991526

[ [ 2.8561800000000006, 3.02172, 3.2388499999999993 ], [ 8.23846, 3.02172, 4.17505 ], [ 2.5260900000000004, 1.00724, 10.652749999999996 ], [ 7.90837, 1.00724, 11.58895 ], [ 0.17993, 1.00724, 3.63553 ], [ 5.56221, 1.00724, 3.7783699999999993 ], [ 5.20234, 3.02172, 11.04943 ], [ 10.584619999999996, 3.02172, 11.19227 ], [ 7.83044, 3.02172, 0.04195999999999999 ], [ 2.44817, 3.02172, 7.37194 ], [ 8.31638, 1.00724, 7.45586 ], [ 2.9341100000000004, 1.00724, 14.78584 ], [ 0.92299, 3.02172, 1.76391 ], [ 4.86399, 3.02172, 1.87084 ], [ 8.23033, 1.00724, 2.7131299999999996 ], [ 2.84806, 1.00724, 4.7007699999999994 ], [ 10.24627, 3.02172, 5.543059999999999 ], [ 6.305270000000001, 3.02172, 5.649989999999999 ], [ 4.45928, 1.00724, 9.17781 ], [ 0.51828, 1.00724, 9.284739999999998 ], [ 7.91649, 3.02172, 10.12703 ], [ 2.53422, 3.02172, 12.114669999999998 ], [ 5.9005600000000005, 1.00724, 12.95696 ], [ 9.841559999999998, 1.00724, 13.06389 ] ]

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

[ "Cu", "Cu", "Cu", "Cu", "Dy", "Dy", "Dy", "Dy", "K", "K", "K", "K", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 7.79668958, 0, 0 ], [ 0, 4.82743549, 0 ], [ 0, 0, 6.47616214 ] ]

-107.864

[ 0.004, 0.004, 0.003, 0.003, 0, 0, 0, 0, 0, 0, 0, 0, 0.002, 0.002, 0.001, 0.001, 0.002, 0.002, 0.002, 0.002, 0.001, 0.001, 0.002, 0.002 ]

[ [ -0.014347, 0, 0.002099 ], [ -0.014347, 0, -0.002099 ], [ 0.014347, 0, 0.002099 ], [ 0.014347, 0, -0.002099 ], [ 0.001013, 0, 0.015955 ], [ 0.001013, 0, -0.015955 ], [ -0.001013, 0, 0.015955 ], [ -0.001013, 0, -0.015955 ], [ 0.021246, 0, -0.008617 ], [ 0.021246, 0, 0.008617 ], [ -0.021246, 0, -0.008617 ], [ -0.021246, 0, 0.008617 ], [ -0.021516, 0, 0.049081 ], [ -0.005754, 0, 0.015757 ], [ 0.008459, 0, 0.016633 ], [ 0.008459, 0, -0.016633 ], [ -0.005754, 0, -0.015757 ], [ -0.021516, 0, -0.049081 ], [ 0.021516, 0, 0.049081 ], [ 0.005754, 0, 0.015757 ], [ -0.008459, 0, 0.016633 ], [ -0.008459, 0, -0.016633 ], [ 0.005754, 0, -0.015757 ], [ 0.021516, 0, -0.049081 ] ]

0.056733

null

pbe

true

fab933b2d5e1094712b9877ac663bc7a_62_K4Dy4Cu4Se12

[ "Fe", "Hf", "Ir", "Tl" ]

4

ABCD

FeHfIrTl

Fe1 Hf1 Ir1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.212322, 3.212322 ], [ 3.212322, 0, 3.212322 ], [ 3.212322, 3.212322, 0 ] ]

oqmd-2847232

[ [ 4.81849, 4.81849, 4.81849 ], [ 3.2123200000000027, 3.212319999999999, 3.212319999999999 ], [ 1.606170000000003, 1.606170000000003, 1.606170000000003 ], [ 0, 0, 0 ] ]

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

[ "Fe", "Hf", "Ir", "Tl" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 35.60078, 0, 0 ], [ 0, 35.60078, 0 ], [ 0, 0, 35.60078 ] ]

-29.7413

[ 0, 0, 0, 0 ]

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

0.966937

null

pbe

true

b08abaff633e37f6305d133c7dba81f5_216_Hf1Tl1Fe1Ir1

[ "Hg", "In", "Sm", "Te" ]

12

A3BCD

HgInSmTe3

Hg1 In1 Sm1 Te3

4

[ 1, 1, 1 ]

3

[ [ 8.688334953, 0, 0 ], [ 0, 4.473728771, 0 ], [ -3.183001573, 0, 10.628016296 ] ]

oqmd-5594907

[ [ 4.739769999999999, 1.1184299999999985, 1.2568399999999993 ], [ 0.7655599999999978, 3.355299999999999, 9.371169999999994 ], [ 1.3791599999999986, 3.355299999999999, 2.259849999999996 ], [ 4.1261699999999975, 1.1184299999999985, 8.368159999999998 ], [ 5.877070000000001, 3.355299999999999, 3.773340000000004 ], [ -0.3717399999999993, 1.1184299999999985, 6.8546700000000005 ], [ 6.432629999999998, 3.355299999999999, 0.53224 ], [ -0.5989400000000016, 1.1184299999999985, 3.750460000000004 ], [ 3.636800000000005, 1.1184299999999985, 3.8530999999999977 ], [ 1.868529999999997, 3.355299999999999, 6.774919999999997 ], [ 6.104279999999997, 3.355299999999999, 6.877550000000001 ], [ -0.9272999999999976, 1.1184299999999985, 10.095779999999998 ] ]

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

[ "Hg", "Hg", "In", "In", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 4.31097693, 0, 0.69709026 ], [ 0, 7.32215359, 0 ], [ 0.69709026, 0, 5.75241009 ] ]

-42.2257

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

[ [ -0.006806, 0, -0.002836 ], [ 0.006806, 0, 0.002836 ], [ 0.010497, 0, 0.03325 ], [ -0.010497, 0, -0.03325 ], [ 0.018625, 0, 0.008506 ], [ -0.018625, 0, -0.008506 ], [ -0.015799, 0, -0.004895 ], [ 0.005805, 0, 0.011863 ], [ -0.0011, 0, 0.001643 ], [ 0.0011, 0, -0.001643 ], [ -0.005805, 0, -0.011863 ], [ 0.015799, 0, 0.004895 ] ]

-0.01543

null

pbe

true

9fbb1277bf0d3517e43e4e635f3dbee6_11_Sm2In2Hg2Te6

[ "Li", "Mn", "O", "Rh" ]

12

A6B4CD

Li4MnO6Rh

Li4 Mn1 O6 Rh1

4

[ 1, 1, 1 ]

3

[ [ -2.508472, -4.33618, -0.001451 ], [ -2.508472, 4.33618, -0.001451 ], [ 1.70006, 0, -4.722854 ] ]

oqmd-2008653

[ [ -2.5084696405267386, 0.0005600000000005502, -0.0014509986351867983 ], [ -1.6584399999999988, 4.334349999999998, -2.36287 ], [ -1.6584400000000026, -1.392150000000001, -2.3628799999999983 ], [ -1.65844, 1.390269999999999, -2.3628799999999983 ], [ -2.508469640526739, 2.888280000000001, -0.0014509986351867986 ], [ -3.427209999999999, -1.4819899999999984, -1.0954300000000003 ], [ -3.32805, 1.5368099999999991, -1.1089400000000014 ], [ -0.760199999999998, -0.05415000000000167, -1.1106400000000023 ], [ -2.5566899999999992, -0.054149999999997346, -3.615120000000001 ], [ 0.011160000000000603, 1.5368099999999998, -3.616820000000002 ], [ 0.11033000000000125, -1.481989999999999, -3.6303200000000024 ], [ -2.508469640526739, -2.886479999999999, -0.0014509986351867983 ] ]

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

[ "Li", "Li", "Li", "Li", "Mn", "O", "O", "O", "O", "O", "O", "Rh" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.08333333333333333, 0.5, 0.08333333333333333 ]

[ [ 3.887, 0, -0.01355 ], [ 0, 3.86921, 0 ], [ -0.01355, 0, 3.66471 ] ]

-71.1625

[ 0.007, 0.001, 0.001, 0.001, 3.128, 0.047, 0.035, 0.027, 0.039, 0.022, 0.047, 0.548 ]

[ [ 0, 0.016456, 0 ], [ 0, 0.009195, 0 ], [ 0, -0.01786, 0 ], [ 0, -0.006762, 0 ], [ 0, -0.014744, 0 ], [ -0.013984, -0.023571, -0.001113 ], [ -0.000567, 0.031435, -0.001112 ], [ 0.01729, -0.029757, 0.003026 ], [ -0.01729, -0.029757, -0.003026 ], [ 0.000567, 0.031435, 0.001112 ], [ 0.013984, -0.023571, 0.001113 ], [ 0, 0.057502, 0 ] ]

3.97654

null

pbe

false

a421d61e535d0ba0eb810fbeff7c0a38_5_Li4Mn1Rh1O6

[ "Ag", "S", "Sc", "Se", "Sr" ]

12

A2BCDE

AgS2ScSeSr

Ag1 S2 Sc1 Se1 Sr1

5

[ 1, 1, 1 ]

3

[ [ 1.98142702, -6.762132724, 0 ], [ 1.98142702, 6.762132724, 0 ], [ 0, 0, 10.291153414 ] ]

oqmd-5009340

[ [ 1.9814300000000016, 6.356640000000004, 2.5727900000000044 ], [ 1.9814299999999991, -6.356639999999997, 7.718370000000003 ], [ 1.981430000000001, 5.016760000000003, 0.50182 ], [ 1.981430000000001, 5.016760000000003, 4.643759999999999 ], [ 1.981430000000001, -5.016760000000003, 5.647389999999995 ], [ 1.981430000000001, -5.016760000000003, 9.789339999999996 ], [ 1.9814299999999987, 1.1147793812220572e-16, 0 ], [ 1.9814299999999987, 1.1147793812220572e-16, 5.145579999999998 ], [ 1.9814300000000007, 1.2749900000000014, 2.5727900000000044 ], [ 1.981430000000001, -1.2749900000000012, 7.718370000000003 ], [ 1.9814299999999987, -3.1710499999999993, 2.5727900000000044 ], [ 1.9814300000000007, 3.171050000000006, 7.718370000000003 ] ]

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

[ "Ag", "Ag", "S", "S", "S", "S", "Sc", "Sc", "Se", "Se", "Sr", "Sr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 2.29162134, 0, 0 ], [ 0, 1.81534585, 0 ], [ 0, 0, 3.04761996 ] ]

-62.199

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

[ [ 0, 0.007584, 0 ], [ 0, -0.007584, 0 ], [ 0, 0.009858, -0.000213 ], [ 0, 0.009858, 0.000213 ], [ 0, -0.009858, -0.000213 ], [ 0, -0.009858, 0.000213 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00402, 0 ], [ 0, 0.00402, 0 ], [ 0, 0.007313, 0 ], [ 0, -0.007313, 0 ] ]

-0.002469

null

pbe

true

09e649cce214f76e6847fc508af9a78b_63_Sr2Sc2Ag2Se2S4

[ "Al", "Tc" ]

10

A3B2

Al2Tc3

Al2 Tc3

2

[ 1, 1, 1 ]

3

[ [ -7.398764, 0, 0 ], [ 3.699382, -6.407517, 0 ], [ -3.699382, 2.135839, 3.082845 ] ]

oqmd-2002829

[ [ -3.699389999999996, -2.1358400000000017, 0.3906299999999984 ], [ -7.398759999999999, -2.2466238350627865e-15, 1.1507799999999992 ], [ -3.779652588608224e-15, -4.271680000000001, 1.932060000000001 ], [ -3.6993900000000033, -2.1358399999999973, 2.6921999999999993 ], [ -2.50095, 0.060110000000000184, 0.7707100000000001 ], [ -6.200340000000001, -2.1959399999999967, 0.7707100000000001 ], [ -2.3968499999999966, -4.271680000000003, 0.7707100000000001 ], [ -5.0019100000000005, -2.9547411946817955e-16, 2.3121399999999994 ], [ -1.1984200000000005, -2.075719999999999, 2.3121399999999994 ], [ -4.89781, -4.331789999999999, 2.3121399999999994 ] ]

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

[ "Al", "Al", "Al", "Al", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc" ]

2024-11-01 00:00:00

[ 0.4, 0.6 ]

[ [ -0.13982, -0.16524, -0.13931 ], [ -0.16524, 0.43262, -0.23904 ], [ -0.13931, -0.23904, 0.31701 ] ]

-75.468

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

[ [ 0.009801, -0.004089, 0.049331 ], [ 0.008815, -0.005619, -0.040158 ], [ -0.008442, 0.006444, 0.040438 ], [ -0.009273, 0.004825, -0.048913 ], [ -0.049347, 0.000676, -0.014361 ], [ -0.05387, 0.052052, 0.038706 ], [ -0.063825, 0.042674, -0.013925 ], [ 0.062455, -0.042097, 0.014128 ], [ 0.053676, -0.05299, -0.038939 ], [ 0.050011, -0.001876, 0.013693 ] ]

0.001037

null

pbe

true

f3e6eb20c6dd78fa643aa55b52e3d493_167_Al4Tc6

[ "Na", "Ni", "Si", "Y" ]

4

ABCD

NaNiSiY

Na1 Ni1 Si1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.230069, 3.230069 ], [ 3.230069, 0, 3.230069 ], [ 3.230069, 3.230069, 0 ] ]

oqmd-3155654

[ [ 4.845110000000004, 4.845110000000004, 4.845110000000004 ], [ 1.6150400000000027, 1.6150400000000027, 1.6150400000000027 ], [ 3.230070000000001, 3.230070000000001, 3.230070000000001 ], [ 0, 0, 0 ] ]

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

[ "Na", "Ni", "Si", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 16.24071, 0, 0 ], [ 0, 16.24071, 0 ], [ 0, 0, 16.24071 ] ]

-19.4671

[ 0, 0, 0, 0 ]

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

-0.001255

null

pbe

true

eaf2521aa2e209af0c8a93176e361e72_216_Na1Y1Si1Ni1

[ "Dy", "Ga", "In", "Mg", "Nd" ]

9

A3B2C2DE

Dy2Ga2InMg3Nd

Dy2 Ga2 In1 Mg3 Nd1

5

[ 1, 1, 1 ]

3

[ [ 4.584704164, 0, 0 ], [ 0, 6.432261644, 3.674692424 ], [ 0, -6.432261644, 3.674692424 ] ]

oqmd-6901793

[ [ 0, 3.61984, 2.0772500000000003 ], [ 0, -3.61984, 2.077249999999999 ], [ 2.29235, 2.1825899999999994, 3.68217 ], [ 2.29235, -2.1825900000000007, 3.6821699999999993 ], [ 0, 3.8258723690740037e-16, 7.309599999999998 ], [ 2.29235, 4.8259599999999985, 4.586769999999999 ], [ 2.29235, -1.1815287154824089e-15, 5.522339999999999 ], [ 2.29235, -4.825960000000001, 4.586769999999998 ], [ 0, -1.7150116486784432e-16, 3.222539999999999 ] ]

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

[ "Dy", "Dy", "Ga", "Ga", "In", "Mg", "Mg", "Mg", "Nd" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.2222222222222222, 0.1111111111111111, 0.3333333333333333, 0.1111111111111111 ]

[ [ 0.51969475, 0, 0 ], [ 0, 1.01304617, 0 ], [ 0, 0, 0.64108173 ] ]

-31.5747

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

[ [ 0, -0.008422, 0.001127 ], [ 0, 0.008422, 0.001127 ], [ 0, 0.016839, 0.004724 ], [ 0, -0.016839, 0.004724 ], [ 0, 0, 0.000392 ], [ 0, 0.019937, 0.001869 ], [ 0, 0, -0.003649 ], [ 0, -0.019937, 0.001869 ], [ 0, 0, -0.012181 ] ]

-0.000585

null

pbe

true

9df5cd2ec8bcb509914cd43faf5dea04_38_Nd1Dy2Mg3In1Ga2

[ "Co", "Pr", "Th" ]

3

ABC

CoPrTh

Co1 Pr1 Th1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.393527504, 3.393527504 ], [ 3.393527504, 0, 3.393527504 ], [ 3.393527504, 3.393527504, 0 ] ]

oqmd-6935343

[ [ 0, 0, 0 ], [ 3.393530000000001, 3.393530000000001, 3.393530000000001 ], [ 1.6967600000000005, 1.6967600000000005, 1.6967600000000005 ] ]

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

[ "Co", "Pr", "Th" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -3.83979474, 0, 0 ], [ 0, -3.83979474, 0 ], [ 0, 0, -3.83979474 ] ]

-17.0199

[ 0.003, -0.001, -0.002 ]

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

-0.006351

null

pbe

true

5da9aeb256a4658a9ca4503d5361bf54_216_Pr1Th1Co1

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

10

A3BC

NO3Tl

N1 O3 Tl1

3

[ 1, 1, 1 ]

3

[ [ 2.972544017, 1.716199088, 5.048489502 ], [ -2.972544017, 1.716199088, 5.048489502 ], [ 0, -3.432398177, 5.048489502 ] ]

oqmd-8876821

[ [ -1.743200049401929e-17, 5.312795173352062e-17, 3.7863699999999993 ], [ -1.7030962002030727e-16, -8.777939572567234e-17, 11.359099999999998 ], [ -0.63386, 1.09788, 3.786369999999999 ], [ 1.26773, 5.312795173352062e-17, 3.7863699999999993 ], [ -0.6338599999999999, -1.0978799999999995, 3.7863699999999993 ], [ 0.6338600000000002, 1.0978800000000002, 11.359099999999998 ], [ -1.2677299999999998, -8.777939572567234e-17, 11.359099999999998 ], [ 0.63386, -1.09788, 11.359099999999998 ], [ 0, 0, 0 ], [ 1.5179947392001338e-17, 1.6065132929266335e-16, 7.572729999999999 ] ]

[{"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"]}]

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

2024-11-01 00:00:00

[ 0.2, 0.6, 0.2 ]

[ [ 54.40158, 0, 0 ], [ 0, 54.40158, 0 ], [ 0, 0, 47.761 ] ]

-56.1696

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.076063, -0.131746, 0 ], [ -0.152127, 0, 0 ], [ 0.076063, 0.131746, 0 ], [ -0.076063, -0.131746, 0 ], [ 0.152127, 0, 0 ], [ -0.076063, 0.131746, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

false

10c2129f9fee3557dfb92411f44643c2_167_Tl2N2O6

[ "Ag", "Si", "Y" ]

12

A3B2C

AgSi3Y2

Ag1 Si3 Y2

3

[ 1, 1, 1 ]

3

[ [ 0, 4.127936869, 7.128670357 ], [ 4.05301444, 0, 7.128670357 ], [ 4.05301444, 4.127936869, 0 ] ]

oqmd-7756236

[ [ 4.05301, 4.12794, 9.49453 ], [ 4.05301, 4.12794, 4.76281 ], [ 4.05301, 4.12794, 11.92829 ], [ 4.05301, 2.03309, 8.29478 ], [ 4.05301, 2.03309, 5.96256 ], [ 4.05301, 6.222790000000001, 8.29478 ], [ 4.05301, 6.222790000000001, 5.962560000000001 ], [ 4.05301, 4.12794, 2.32905 ], [ 1.9614799999999997, 4.12794, 7.12867 ], [ 2.02651, 2.06397, 3.56434 ], [ 6.07952, 6.191910000000001, 10.69301 ], [ 6.144540000000001, 4.12794, 7.12867 ] ]

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

[ "Ag", "Ag", "Si", "Si", "Si", "Si", "Si", "Si", "Y", "Y", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 7.07566701, 0, 0 ], [ 0, 7.19322709, 0 ], [ 0, 0, 7.78793299 ] ]

-71.5884

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

[ [ 0, 0, -0.001932 ], [ 0, 0, 0.001932 ], [ 0, 0, -0.019538 ], [ 0, -0.001801, 0.006843 ], [ 0, -0.001801, -0.006843 ], [ 0, 0.001801, 0.006843 ], [ 0, 0.001801, -0.006843 ], [ 0, 0, 0.019538 ], [ 0.01405, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01405, 0, 0 ] ]

0.002516

null

pbe

true

548d12d8bacf4acaf61726cfca1bd772_69_Y4Si6Ag2

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

3

ABC

AsMoPm

As1 Mo1 Pm1

3

[ 1, 1, 1 ]

3

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

oqmd-3237887

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

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

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

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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

-17.4704

[ 0, 0, 0 ]

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

3.64351

null

pbe

true

6971eda80ad68eb60b912d1fd6c8fef3_216_Pm1Mo1As1

[ "Au", "Gd", "Pb" ]

6

ABC

AuGdPb

Au1 Gd1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 5.252151445, 0, 0 ], [ -2.626075723, 4.548496576, 0 ], [ 0, 0, 6.288187269 ] ]

oqmd-5998547

[ [ 0, 0, 0 ], [ 0, 0, 3.1440900000000003 ], [ 2.62608, 1.51617, 1.57205 ], [ -1.937885620008137e-16, 3.03233, 4.71614 ], [ -1.937885620008137e-16, 3.03233, 1.57205 ], [ 2.62608, 1.51617, 4.71614 ] ]

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

[ "Au", "Au", "Gd", "Gd", "Pb", "Pb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 7.24923657, 0, 0 ], [ 0, 7.24923657, 0 ], [ 0, 0, 7.09148386 ] ]

-25.467

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

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

0.003253

null

pbe

true

d7dea3f687f7ffcee540fb45255d8689_194_Gd2Pb2Au2

[ "Fe", "Lu", "N", "O" ]

8

ABCD

FeLuNO

Fe1 Lu1 N1 O1

4

[ 1, 1, 1 ]

3

[ [ -1.785071, -3.091833, 0 ], [ 0, 0, 5.674313 ], [ -4.957556, 2.862245, 0 ] ]

oqmd-3699590

[ [ -1.6084001064863236, 0.928609815560318, 2.9296099999999994 ], [ -3.349161058577959, 1.9336381664895912, 0.0924600000000002 ], [ -1.8607, -0.9869500000000012, 0.005360000000000003 ], [ -4.881940000000001, 0.7573599999999981, 2.8425200000000004 ], [ -1.718090313267154, 0.9919394574054928, 4.872390000000002 ], [ -3.239470851797129, 1.870308524644416, 2.035240000000002 ], [ -1.6681599999999974, -1.0981100000000004, 2.145360000000002 ], [ -5.074470000000002, 0.868530000000002, 4.982500000000002 ] ]

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

[ "Fe", "Fe", "Lu", "Lu", "N", "N", "O", "O" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 31.3587, 0.41618, 0 ], [ 0.41618, 31.83925, 0 ], [ 0, 0, 31.02723 ] ]

-59.6981

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

[ [ 0.055878, -0.032261, -0.001345 ], [ -0.055878, 0.032261, -0.001345 ], [ -0.058369, 0.033699, 0.024422 ], [ 0.058369, -0.033699, 0.024422 ], [ -0.014673, 0.008471, -0.027466 ], [ 0.014673, -0.008471, -0.027466 ], [ -0.043333, 0.025018, 0.004389 ], [ 0.043333, -0.025018, 0.004389 ] ]

8.00062

null

pbe

false

8eedfe8d3df438c01ae5600199165afb_26_Lu2Fe2N2O2

[ "H", "Na", "Sc" ]

10

A6B3C

H6Na3Sc

H6 Na3 Sc1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.98918655, 3.98918655 ], [ 3.98918655, 0, 3.98918655 ], [ 3.98918655, 3.98918655, 0 ] ]

oqmd-6359753

[ [ 1.9210700000000007, 3.98919, 3.98919 ], [ 3.98919, 1.9210700000000007, 3.98919 ], [ 3.9891899999999993, 3.9891899999999993, 6.0573 ], [ 3.9891900000000007, 6.057300000000001, 3.98919 ], [ 6.057300000000001, 3.9891900000000007, 3.98919 ], [ 3.98919, 3.98919, 1.921070000000001 ], [ 1.9945900000000003, 1.9945900000000003, 1.9945900000000003 ], [ 3.98919, 3.98919, 3.98919 ], [ 5.983780000000001, 5.983780000000001, 5.983780000000002 ], [ 0, 0, 0 ] ]

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

[ "H", "H", "H", "H", "H", "H", "Na", "Na", "Na", "Sc" ]

2024-11-01 00:00:00

[ 0.6, 0.3, 0.1 ]

[ [ 30.45428705, 0, 0 ], [ 0, 30.45428705, 0 ], [ 0, 0, 30.45428705 ] ]

-32.1584

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

[ [ -0.025514, 0, 0 ], [ 0, -0.025514, 0 ], [ 0, 0, 0.025514 ], [ 0, 0.025514, 0 ], [ 0.025514, 0, 0 ], [ 0, 0, -0.025514 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000011

null

pbe

false

bd3ce8a99438cf46788b211c6c4edc13_225_Na3Sc1H6

[ "In", "Ni", "Rb" ]

12

A9B2C

In9Ni2Rb

In9 Ni2 Rb1

3

[ 1, 1, 1 ]

3

[ [ 8.898292733, 0, 0 ], [ -4.449146366, 7.706147557, 0 ], [ 0, 0, 4.409725589 ] ]

oqmd-5608806

[ [ 4.449149999999997, 0, 0 ], [ -2.224571001482007, 3.8530699999999984, 0 ], [ 2.224570000000005, 3.8530699999999984, 0 ], [ 2.8034899999999983, 1.61859, 2.20486 ], [ 6.094809999999999, 1.61859, 2.20486 ], [ -1.708354943740163e-16, 3.237189999999996, 2.20486 ], [ 4.449149999999999, 4.468959999999997, 2.20486 ], [ -1.6456599999999977, 6.087549999999998, 2.20486 ], [ 1.6456600000000037, 6.087549999999998, 2.20486 ], [ 4.449150000000004, 2.568719999999999, 0 ], [ -1.6190470870464329e-15, 5.137430000000003, 0 ], [ 0, 0, 0 ] ]

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

[ "In", "In", "In", "In", "In", "In", "In", "In", "In", "Ni", "Ni", "Rb" ]

2024-11-01 00:00:00

[ 0.75, 0.16666666666666666, 0.08333333333333333 ]

[ [ 1.80873617, 0, 0 ], [ 0, 1.80873617, 0 ], [ 0, 0, 1.1246489 ] ]

-38.2609

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.008957, 0.005171, 0 ], [ -0.008957, 0.005171, 0 ], [ 0, 0.010343, 0 ], [ 0, -0.010343, 0 ], [ 0.008957, -0.005171, 0 ], [ -0.008957, -0.005171, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.005178

null

pbe

true

b77f8432153f3ce16db41b99b84dd006_191_Rb1In9Ni2

[ "Ni", "Pr", "Rh" ]

6

A3B2C

Ni2PrRh3

Ni2 Pr1 Rh3

3

[ 1, 1, 1 ]

3

[ [ 5.266543465, 0, 0 ], [ -2.633271733, 4.560960431, 0 ], [ 0, 0, 4.053424021 ] ]

oqmd-7733158

[ [ 2.6332699999999996, 1.52032, 0 ], [ -1.2333469585711871e-16, 3.04064, 0 ], [ 0, 0, 0 ], [ 2.6332699999999996, 0, 2.02671 ], [ -1.316635742081017, 2.2804800000000003, 2.02671 ], [ 1.3166399999999998, 2.2804800000000003, 2.02671 ] ]

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

[ "Ni", "Ni", "Pr", "Rh", "Rh", "Rh" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 6.06096798, 0, 0 ], [ 0, 6.06096798, 0 ], [ 0, 0, 6.67392396 ] ]

-39.774

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

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

-0.000512

null

pbe

false

6157eeb63a4e15cae2f599fd2f947ebe_191_Pr1Ni2Rh3

[ "Ga", "Ni", "Tm", "Y" ]

9

A3B3C2D

Ga3Ni3TmY2

Ga3 Ni3 Tm1 Y2

4

[ 1, 1, 1 ]

3

[ [ 3.742104137, 0, 0 ], [ 0, 6.04826667, 3.507952761 ], [ 0, -6.04826667, 3.507952761 ] ]

oqmd-9933330

[ [ 1.87105, 1.47986, 0.87216 ], [ 1.87105, -1.4798599999999995, 0.8721599999999997 ], [ 1.87105, 2.1843639064967576e-16, 5.27708 ], [ 0, -5.0759843944998615e-19, 0.023939999999999996 ], [ 1.87105, 1.97125, 3.49782 ], [ 1.87105, -1.9712499999999995, 3.4978199999999995 ], [ 0, 1.603813136794084e-16, 2.8827999999999996 ], [ 0, 3.555837791285388, 2.0623612810391707 ], [ 0, -3.555837791285388, 2.0623612810391707 ] ]

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

[ "Ga", "Ga", "Ga", "Ni", "Ni", "Ni", "Tm", "Y", "Y" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.1111111111111111, 0.2222222222222222 ]

[ [ 19.70401, 0, 0 ], [ 0, 15.91839, 0 ], [ 0, 0, 16.15305 ] ]

-48.9505

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

[ [ 0, -0.013969, -0.027266 ], [ 0, 0.013969, -0.027266 ], [ 0, 0, 0.043145 ], [ 0, 0, 0.009585 ], [ 0, 0.014032, 0.005948 ], [ 0, -0.014032, 0.005948 ], [ 0, 0, 0.025145 ], [ 0, -0.014062, -0.017619 ], [ 0, 0.014062, -0.017619 ] ]

0.00236

null

pbe

true

fa838fc7fea178b8d1665d48495e32bc_38_Y2Tm1Ga3Ni3

[ "Bi", "Cr", "Cu", "Mo" ]

4

ABCD

BiCrCuMo

Bi1 Cr1 Cu1 Mo1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.24743, 3.24743 ], [ 3.24743, 0, 3.24743 ], [ 3.24743, 3.24743, 0 ] ]

oqmd-2887118

[ [ 1.6237099999999978, 1.6237099999999978, 1.6237099999999978 ], [ 0, 0, 0 ], [ 4.871150000000003, 4.871150000000003, 4.871150000000003 ], [ 3.2474399999999983, 3.2474399999999983, 3.2474399999999983 ] ]

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

[ "Bi", "Cr", "Cu", "Mo" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.51967, 0, 0 ], [ 0, 5.51967, 0 ], [ 0, 0, 5.51967 ] ]

-25.4287

[ 0, 0, 0, 0 ]

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

3.17335

null

pbe

false

2720e280a6cf7cef2b58d34dffd83991_216_Cr1Cu1Bi1Mo1

[ "Au", "Si", "V" ]

3

ABC

AuSiV

Au1 Si1 V1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.939565, 2.939565 ], [ 2.939565, 0, 2.939565 ], [ 2.939565, 2.939565, 0 ] ]

oqmd-3048972

[ [ 1.469780000000001, 1.469780000000001, 1.469780000000001 ], [ 0, 0, 0 ], [ 4.409349999999999, 4.409349999999999, 4.409349999999999 ] ]

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

[ "Au", "Si", "V" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.04153, 0, 0 ], [ 0, 1.04153, 0 ], [ 0, 0, 1.04153 ] ]

-17.7228

[ 0, 0, 0 ]

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

2.13049

null

pbe

false

dae3bb6ee86aafd23fb01ecdfb400eb5_216_V1Si1Au1

[ "K", "S" ]

6

A2B

KS2

K1 S2

2

[ 1, 1, 1 ]

3

[ [ 0, 3.999294311, 3.999294311 ], [ 3.999294311, 0, 3.999294311 ], [ 3.999294311, 3.999294311, 0 ] ]

oqmd-6551172

[ [ 0, 0, 0 ], [ 1.99965, 1.99965, 1.99965 ], [ 2.99947, 2.99947, 4.999119999999999 ], [ 2.9994699999999996, 4.999119999999999, 2.99947 ], [ 4.999119999999999, 2.9994699999999996, 2.99947 ], [ 4.999119999999999, 4.999119999999999, 4.999119999999999 ] ]

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

[ "K", "K", "S", "S", "S", "S" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 7.15772643, 0, 0 ], [ 0, 7.15772643, 0 ], [ 0, 0, 7.15772643 ] ]

-19.5711

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

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

null

pbe

false

2dfafee5d25b804ed4dcd43f399bd87f_227_K2S4

[ "Cu", "Ge", "V" ]

4

A2BC

CuGe2V

Cu1 Ge2 V1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.165214951, 3.165214951 ], [ 3.165214951, 0, 3.165214951 ], [ 3.165214951, 3.165214951, 0 ] ]

oqmd-4952599

[ [ 4.74782, 4.74782, 4.74782 ], [ 1.5826099999999987, 1.5826099999999987, 1.5826099999999987 ], [ 3.165210000000001, 3.165210000000001, 3.165210000000001 ], [ 0, 0, 0 ] ]

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

[ "Cu", "Ge", "Ge", "V" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 5.39521702, 0, 0 ], [ 0, 5.39521702, 0 ], [ 0, 0, 5.39521702 ] ]

-20.3953

[ 0.008, -0.011, -0.035, 2.344 ]

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

2.44359

null

pbe

false

12c081ed7b378bd9921cd9511376eaaf_216_V1Cu1Ge2

[ "Fe", "In", "Ti" ]

3

ABC

FeInTi

Fe1 In1 Ti1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.041575, 3.041575 ], [ 3.041575, 0, 3.041575 ], [ 3.041575, 3.041575, 0 ] ]

oqmd-3457578

[ [ 1.5207900000000028, 1.5207900000000028, 1.5207900000000028 ], [ 0, 0, 0 ], [ 4.5623600000000035, 4.5623600000000035, 4.5623600000000035 ] ]

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

[ "Fe", "In", "Ti" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 70.06252, 0, 0 ], [ 0, 70.06252, 0 ], [ 0, 0, 70.06252 ] ]

-16.8863

[ 0, 0, 0 ]

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

2.34668

null

pbe

false

20bbaf5f292d8d55758b923740299ab5_216_Ti1In1Fe1

[ "Be", "In", "Pt" ]

10

A2B2C

Be2InPt2

Be2 In1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 6.980108222, 0, 0 ], [ 0, 6.980108222, 0 ], [ 0, 0, 2.791229459 ] ]

oqmd-6024968

[ [ 4.34076, 0.85071, 0 ], [ 0.85071, 2.63935, 0 ], [ 6.129400000000001, 4.34076, 0 ], [ 2.63935, 6.129400000000001, 0 ], [ 0, 0, 0 ], [ 3.49005, 3.49005, 0 ], [ 2.35008, 1.13997, 1.39561 ], [ 5.84014, 2.35008, 1.39561 ], [ 1.13997, 4.6300300000000005, 1.39561 ], [ 4.6300300000000005, 5.84014, 1.39561 ] ]

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

[ "Be", "Be", "Be", "Be", "In", "In", "Pt", "Pt", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.4, 0.2, 0.4 ]

[ [ 2.51560034, 0, 0 ], [ 0, 2.51560034, 0 ], [ 0, 0, 4.04927823 ] ]

-49.6429

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

[ [ -0.001784, -0.001784, 0 ], [ -0.001784, 0.001784, 0 ], [ 0.001784, -0.001784, 0 ], [ 0.001784, 0.001784, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.014949, -0.014949, 0 ], [ 0.014949, 0.014949, 0 ], [ -0.014949, -0.014949, 0 ], [ -0.014949, 0.014949, 0 ] ]

-0.000177

null

pbe

true

9d9182767610e09f17f5d7e215778840_127_Be4In2Pt4

[ "Al", "Mn", "Ni", "Pd" ]

4

ABCD

AlMnNiPd

Al1 Mn1 Ni1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 0, 2.996063, 2.996063 ], [ 2.996063, 0, 2.996063 ], [ 2.996063, 2.996063, 0 ] ]

oqmd-3302962

[ [ 0, 0, 0 ], [ 2.9960699999999987, 2.9960699999999987, 2.9960699999999987 ], [ 4.494100000000002, 4.494100000000002, 4.494100000000002 ], [ 1.4980300000000026, 1.4980300000000026, 1.4980300000000026 ] ]

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

[ "Al", "Mn", "Ni", "Pd" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -14.9345, 0, 0 ], [ 0, -14.9345, 0 ], [ 0, 0, -14.9345 ] ]

-25.3551

[ 0, 0, 0, 0 ]

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

4.10598

null

pbe

false

cd7b357ba9f00d305c5a225871b1172a_216_Mn1Al1Ni1Pd1

[ "Be", "In", "Sc", "V" ]

4

ABCD

BeInScV

Be1 In1 Sc1 V1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.268001, 3.268001 ], [ 3.268001, 0, 3.268001 ], [ 3.268001, 3.268001, 0 ] ]

oqmd-2189907

[ [ 4.901999999999998, 4.901999999999998, 4.901999999999998 ], [ 0, 0, 0 ], [ 3.268000000000001, 3.268000000000001, 3.268000000000001 ], [ 1.6339999999999972, 1.6339999999999972, 1.6339999999999972 ] ]

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

[ "Be", "In", "Sc", "V" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.19555, 0, 0 ], [ 0, 5.19555, 0 ], [ 0, 0, 5.19555 ] ]

-20.7673

[ -0.034, 0.026, 0.684, 3.126 ]

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

4.42783

null

pbe

false

c6eb782c469caf77b597b9917c52b892_216_Sc1Be1V1In1

[ "Au", "Bi", "Na", "Rb" ]

8

ABCD

AuBiNaRb

Au1 Bi1 Na1 Rb1

4

[ 1, 1, 1 ]

3

[ [ 6.158013126, 0, 0 ], [ 0, 6.225515428, 0 ], [ -2.04433939, 0, 6.896261051 ] ]

oqmd-6654765

[ [ 0, 0, 0 ], [ 0, 3.11276, 0 ], [ 0.90252, 1.55638, 2.14924 ], [ 3.2111600000000005, 4.669139999999999, 4.74702 ], [ 0.011430000000000207, 4.669139999999999, 3.27392 ], [ 4.102249999999999, 1.55638, 3.62235 ], [ 3.04291, 4.669139999999999, 1.07554 ], [ 1.07076, 1.55638, 5.82072 ] ]

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

[ "Au", "Au", "Bi", "Bi", "Na", "Na", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.77332954, 0, -0.48002893 ], [ 0, 3.00785685, 0 ], [ -0.48002893, 0, 4.08311265 ] ]

-22.2944

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.029065, 0, -0.03523 ], [ 0.029065, 0, 0.03523 ], [ 0.032075, 0, -0.025455 ], [ -0.032075, 0, 0.025455 ], [ 0.035177, 0, 0.010216 ], [ -0.035177, 0, -0.010216 ] ]

null

pbe

true

8889ee7f85487bc48049ef821e28c71d_11_Rb2Na2Bi2Au2

[ "Er", "Ho", "Mn" ]

3

ABC

ErHoMn

Er1 Ho1 Mn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.402318272, 3.402318272 ], [ 3.402318272, 0, 3.402318272 ], [ 3.402318272, 3.402318272, 0 ] ]

oqmd-7357261

[ [ 1.7011600000000002, 1.7011600000000002, 1.7011600000000002 ], [ 5.10348, 5.10348, 5.10348 ], [ 0, 0, 0 ] ]

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

[ "Er", "Ho", "Mn" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 8.42723524, 0, 0 ], [ 0, 8.42723524, 0 ], [ 0, 0, 8.42723524 ] ]

-17.0197

[ -0.188, -0.192, 2.835 ]

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

2.45827

null

pbe

false

b258ad6e843ad8628906a1c59e9b90f9_216_Ho1Er1Mn1

[ "In", "Na", "Nd", "Te" ]

12

A3BCD

InNaNdTe3

In1 Na1 Nd1 Te3

4

[ 1, 1, 1 ]

3

[ [ 2.248337006, -7.653847698, 0 ], [ 2.248337006, 7.653847698, 0 ], [ 0, 0, 11.595247051 ] ]

oqmd-4962005

[ [ 2.2483399999999993, -7.309569999999999, 2.8988099999999943 ], [ 2.2483399999999993, 7.309569999999998, 8.696439999999997 ], [ 2.2483399999999993, 3.5262500000000045, 2.8988099999999943 ], [ 2.24834, -3.526250000000004, 8.696439999999997 ], [ 2.24834, -7.654181610373706e-15, 0 ], [ 2.24834, -7.654181610373706e-15, 5.79762 ], [ 2.2483399999999993, -5.448849999999999, 0.65063 ], [ 2.24834, -1.6249199999999964, 2.8988099999999943 ], [ 2.2483399999999993, -5.448849999999999, 5.146990000000001 ], [ 2.24834, 5.44885, 6.448260000000002 ], [ 2.24834, 1.6249199999999966, 8.696439999999997 ], [ 2.24834, 5.44885, 10.944610000000004 ] ]

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

[ "In", "In", "Na", "Na", "Nd", "Nd", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 2.96411288, 0, 0 ], [ 0, 3.66472317, 0 ], [ 0, 0, 3.21915035 ] ]

-46.2176

[ 0.001, 0.001, 0, 0, 0.002, 0.002, 0, 0.001, 0, 0, 0.001, 0 ]

[ [ 0, -0.036347, 0 ], [ 0, 0.036347, 0 ], [ 0, 0.015313, 0 ], [ 0, -0.015313, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.009846, -0.003194 ], [ 0, 0.007801, 0 ], [ 0, -0.009846, 0.003194 ], [ 0, 0.009846, -0.003194 ], [ 0, -0.007801, 0 ], [ 0, 0.009846, 0.003194 ] ]

0.029118

null

pbe

true

aa0d775ad4f1afc0a38a72ed400d2b5b_63_Na2Nd2In2Te6

[ "Mg", "Si", "Sr", "Zn" ]

5

A2BCD

MgSi2SrZn

Mg1 Si2 Sr1 Zn1

4

[ 1, 1, 1 ]

3

[ [ -2.200702977, 2.200702977, 5.366135014 ], [ 2.200702977, -2.200702977, 5.366135014 ], [ 2.200702977, 2.200702977, -5.366135014 ] ]

oqmd-6483814

[ [ 0, 0, 0 ], [ -2.1309273664999562e-16, 2.2007000000000003, 1.47606 ], [ 2.3099647320006697e-16, 2.2007, 3.890079999999999 ], [ 2.2007, 8.951868275035661e-18, 2.6830699999999994 ], [ -1.511282030321412e-17, 1.511282030321412e-17, 5.36614 ] ]

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

[ "Mg", "Si", "Si", "Sr", "Zn" ]

2024-11-01 00:00:00

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.52432777, 0, 0 ], [ 0, 1.52432777, 0 ], [ 0, 0, 3.46834585 ] ]

-16.914

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.023772 ], [ 0, 0, -0.023772 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

null

pbe

true

ae3b836882ce82d2148880b30a058496_119_Sr1Mg1Zn1Si2

[ "N", "O", "Pd", "Rb" ]

8

ABCD

NOPdRb

N1 O1 Pd1 Rb1

4

[ 1, 1, 1 ]

3

[ [ 3.51289, 0, 0 ], [ 0, 6.344139, 0 ], [ 0.000001, 0, 6.667439 ] ]

oqmd-4810961

[ [ 3.05838568601827e-7, 6.323800000000002, 2.0391599999999968 ], [ 6.941600815545519e-7, 3.151740000000001, 4.6282700000000006 ], [ 1.7564399999999984, 1.6191999999999995, 0.04284000000000003 ], [ 1.7564399999999991, 4.791260000000001, 6.624590000000003 ], [ 1.7564500000000018, 6.338390000000001, 1.3304099999999996 ], [ 1.7564500000000014, 3.16633, 5.337029999999997 ], [ 2.44863132606088e-7, 3.1903500000000022, 1.6326100000000028 ], [ 7.55138517202782e-7, 0.018290000000000008, 5.03484 ] ]

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

[ "N", "N", "O", "O", "Pd", "Pd", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 21.39441, 0, 0 ], [ 0, 21.0038, 0 ], [ 0, 0, 18.6065 ] ]

-37.9232

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

[ [ 0, 0.021405, 0.051128 ], [ 0, 0.021405, -0.051128 ], [ 0, -0.039076, -0.028161 ], [ 0, -0.039076, 0.028161 ], [ 0, 0.027844, 0.028588 ], [ 0, 0.027844, -0.028588 ], [ 0, -0.010173, 0.002439 ], [ 0, -0.010173, -0.002439 ] ]

null

pbe

true

1c5ed2882f2beb0e1d49fc4d7b0ec070_26_Rb2Pd2N2O2

[ "Gd", "Mg" ]

8

AB

GdMg

Gd1 Mg1

2

[ 1, 1, 1 ]

3

[ [ 5.974578, 0, 0 ], [ 0, 6.889311, 0 ], [ 0, 0, 5.487183 ] ]

oqmd-2390316

[ [ 5.909109999999998, 0, 0 ], [ 2.058750000000002, 0, 2.74359 ], [ 4.970709999999999, 1.73707, 2.74359 ], [ 4.970709999999999, 5.152240000000002, 2.74359 ], [ 2.982560000000001, 1.7672900000000025, 0 ], [ 0.06006999999999998, 3.4446500000000015, 0 ], [ 2.982560000000001, 5.122029999999998, 0 ], [ 1.9553900000000013, 3.4446500000000015, 2.74359 ] ]

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

[ "Gd", "Gd", "Gd", "Gd", "Mg", "Mg", "Mg", "Mg" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 0.55209, 0, 0 ], [ 0, 0.66121, 0 ], [ 0, 0, 0.40353 ] ]

-24.4768

[ 0.004, 0.001, 0.002, 0.002, 0, 0, 0, 0 ]

[ [ -0.030061, 0, 0 ], [ 0.012027, 0, 0 ], [ -0.000011, -0.024653, 0 ], [ -0.000011, 0.024653, 0 ], [ -0.0075, -0.000426, 0 ], [ 0.024542, 0, 0 ], [ -0.0075, 0.000426, 0 ], [ 0.008516, 0, 0 ] ]

0.024529

null

pbe

true

4061bd85ebbbd1113df9242f2d2967b2_25_Gd4Mg4

[ "As", "Ce", "N", "O" ]

20

A2BCD

AsCeN2O

As1 Ce1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 7.499398071, 0, 0 ], [ 0, 5.879390888, 0 ], [ 0, 0, 5.707967663 ] ]

oqmd-8140976

[ [ 1.89214, 1.06086, 2.6767 ], [ 5.6072500000000005, 1.06086, 2.6767 ], [ 1.89214, 4.81854, 5.530680000000001 ], [ 5.6072500000000005, 4.81854, 5.530680000000001 ], [ 3.7497, 1.75013, 0.06648 ], [ 0, 4.18194, 2.5895600000000005 ], [ 3.7497, 4.12927, 2.92046 ], [ 0, 1.69746, 5.44354 ], [ 0, 4.9564, 0.2674 ], [ 2.1747700000000005, 5.4850200000000005, 1.60384 ], [ 5.32462, 5.4850200000000005, 1.60384 ], [ 3.7497, 1.75024, 2.651320000000001 ], [ 0, 0.92299, 3.12138 ], [ 2.1747700000000005, 0.39437, 4.45782 ], [ 5.32462, 0.39437, 4.45782 ], [ 3.7497, 4.12915, 5.50531 ], [ 1.61309, 2.5065, 1.49514 ], [ 5.88631, 2.5065, 1.49514 ], [ 1.61309, 3.37289, 4.34912 ], [ 5.88631, 3.37289, 4.34912 ] ]

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

[ "As", "As", "As", "As", "Ce", "Ce", "Ce", "Ce", "N", "N", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 31.93723717, 0, 0 ], [ 0, 56.52677389, 0 ], [ 0, 0, 45.27700017 ] ]

-139.715

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

[ [ 0.00415, -0.011209, 0.028409 ], [ -0.00415, -0.011209, 0.028409 ], [ 0.00415, 0.011209, 0.028409 ], [ -0.00415, 0.011209, 0.028409 ], [ 0, 0.009912, -0.020957 ], [ 0, 0.005164, -0.035301 ], [ 0, -0.009912, -0.020957 ], [ 0, -0.005164, -0.035301 ], [ 0, -0.023728, 0.013687 ], [ 0.016649, -0.026445, -0.008004 ], [ -0.016649, -0.026445, -0.008004 ], [ 0, 0.00624, -0.00701 ], [ 0, 0.023728, 0.013687 ], [ 0.016649, 0.026445, -0.008004 ], [ -0.016649, 0.026445, -0.008004 ], [ 0, -0.00624, -0.00701 ], [ -0.007651, -0.012855, 0.004385 ], [ 0.007651, -0.012855, 0.004385 ], [ -0.007651, 0.012855, 0.004385 ], [ 0.007651, 0.012855, 0.004385 ] ]

0.004425

null

pbe

false

527e18d62c84e04b0174dbe29f1393c0_26_Ce4As4N8O4

[ "Cr", "Dy", "O", "Rb" ]

8

A4B2CD

CrDyO4Rb2

Cr1 Dy1 O4 Rb2

4

[ 1, 1, 1 ]

3

[ [ 3.328898467, 0, 0 ], [ -1.664449234, 2.882910639, 0 ], [ 0, 0, 12.629359411 ] ]

oqmd-6846920

[ [ 0, 0, 0 ], [ 0, 0, 6.31468 ], [ 7.103251174688598e-18, 1.92194, 0.9496 ], [ 7.103251174688598e-18, 1.92194, 5.108599999999999 ], [ 1.66445, 0.96097, 7.52076 ], [ 1.66445, 0.96097, 11.679759999999996 ], [ 1.66445, 0.96097, 3.0091499999999995 ], [ 7.103251174688598e-18, 1.92194, 9.62021 ] ]

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

[ "Cr", "Dy", "O", "O", "O", "O", "Rb", "Rb" ]

2024-11-01 00:00:00

[ 0.125, 0.125, 0.5, 0.25 ]

[ [ 28.06150535, 0, 0 ], [ 0, 28.06150535, 0 ], [ 0, 0, 27.89366051 ] ]

-50.7276

[ 3.169, 0, -0.114, 0, 0, -0.114, -0.001, -0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.001192 ], [ 0, 0, -0.023863 ], [ 0, 0, 0.023863 ], [ 0, 0, 0.001192 ], [ 0, 0, 0.00846 ], [ 0, 0, -0.00846 ] ]

3.00155

null

pbe

false

134ed33407f43d1647b0c2a6657f3c13_164_Rb2Dy1Cr1O4

[ "Ga", "Mn", "Sm" ]

3

ABC

GaMnSm

Ga1 Mn1 Sm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.275355322, 3.275355322 ], [ 3.275355322, 0, 3.275355322 ], [ 3.275355322, 3.275355322, 0 ] ]

oqmd-4974010

[ [ 1.6376799999999982, 1.6376799999999982, 1.6376799999999982 ], [ 0, 0, 0 ], [ 4.913029999999998, 4.913029999999998, 4.913029999999998 ] ]

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

[ "Ga", "Mn", "Sm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.76886318, 0, 0 ], [ 0, 0.76886318, 0 ], [ 0, 0, 0.76886318 ] ]

-16.3916

[ 0.032, 3.759, 0.305 ]

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

4.75207

null

pbe

false

12d5d0f542da7c208ee300911ecfa87e_216_Sm1Mn1Ga1

[ "As", "Na", "O", "Rb" ]

16

A4B2CD

AsNaO4Rb2

Rb4 Na2 As2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.50199001, 0, 0 ], [ 2.75099501, 5.97070927, 0 ], [ 2.750995, 0, 10.77916149 ] ]

agm004761165

[ [ 5.501990011789621, 5.97070927, 6.921039599353862 ], [ 5.501990008210379, 0, 3.8581218906461388 ], [ 6.877487510710379, 2.985354635, 9.247702635646139 ], [ 6.877487514289621, 2.985354635, 1.531458854353861 ], [ 6.8774875125, 2.985354635, 5.389580745 ], [ 0, 0, 0 ], [ 4.1264925075, 2.985354635, 5.389580745 ], [ 2.750995005, 0, 0 ], [ 4.480565843167288, 4.9333871396630675, 0.9501241233301497 ], [ 4.480565835786085, 1.0373221303369333, 9.82903736666985 ], [ 9.27440924011526, 4.9333871396630675, 9.82903736666985 ], [ 3.772419175951266, 1.0373221303369333, 0.9501241233301497 ], [ 5.147916679332711, 4.022676765336933, 4.4394566216698506 ], [ 5.147916676713915, 1.9480325046630669, 6.339704868330149 ], [ 8.60705829238474, 4.022676765336933, 6.339704868330149 ], [ 3.1050683365487335, 1.9480325046630669, 4.4394566216698506 ] ]

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

[ "Rb", "Rb", "Rb", "Rb", "Na", "Na", "As", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.5, 0.25 ]

[ [ 0.46366897, 0, 0 ], [ 0, 0.43960476, 0 ], [ 0, 0, 0.55655545 ] ]

-79.872296

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

[ [ 0, 0, -0.00443777 ], [ 0, 0, 0.00443777 ], [ 0, 0, 0.00443777 ], [ 0, 0, -0.00443777 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00337156, -0.00340133, -0.00138004 ], [ -0.00337156, 0.00340133, 0.00138004 ], [ 0.00337156, -0.00340133, 0.00138004 ], [ 0.00337156, 0.00340133, -0.00138004 ], [ 0.00337156, 0.00340133, 0.00138004 ], [ 0.00337156, -0.00340133, -0.00138004 ], [ -0.00337156, 0.00340133, -0.00138004 ], [ -0.00337156, -0.00340133, 0.00138004 ] ]

0.008149

0

pbe

true

d243ec861bd505b2f12193dae5b9b996_70_Rb4Na2As2O8

[ "O", "S" ]

4

AB

OS

S2 O2

2

[ 1, 1, 1 ]

3

[ [ 2.73098909, 0, -0.0278649 ], [ 0, 2.7288742, 0 ], [ -2.60895587, 0, 8.21239181 ] ]

agm002118987

[ [ -1.8032803423880626, 0, 6.945527829492497 ], [ -0.49880240738806253, 1.3644371, 2.839331924492497 ], [ 0.8206831358712625, 0, 0.220745325050803 ], [ -0.48379479912873746, 1.3644371, 4.326941230050803 ] ]

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

[ "S", "S", "O", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.77548194, 0, -0.07510695 ], [ 0, 1.2399138, 0 ], [ -0.07510724, 0, 0.15019116 ] ]

-19.754794

[ 0, 0, 0, 0 ]

[ [ -0.00022901, 0, 0.00330972 ], [ -0.00022901, 0, 0.00330972 ], [ 0.00022901, 0, -0.00330972 ], [ 0.00022901, 0, -0.00330972 ] ]

0

1.264596

pbe

true

8c212177147a2ce5ad4b31f1e7edf203_8_S2O2

[ "Au", "C", "Mg", "Y" ]

5

A2BCD

AuC2MgY

Y1 Mg1 Au1 C2

4

[ 1, 1, 1 ]

3

[ [ 4.39188937, 0, 0 ], [ 0, 4.64933317, 0 ], [ 0, 0, 4.39188937 ] ]

agm001448356

[ [ 2.195944685, 2.324666585, 2.195944685 ], [ 0, 2.324666585, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.195944685 ], [ 2.195944685, 0, 0 ] ]

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

[ "Y", "Mg", "Au", "C", "C" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.3892248, 0, 0 ], [ 0, 0.95170355, 0 ], [ 0, 0, 1.3892248 ] ]

-21.434546

[ 0, 0, 0, 0, 0 ]

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

0.00038

4.176923

pbe

true

2b71aa37ce9b10ea910b1dbb49a19500_123_Y1Mg1Au1C2

[ "Au", "Ge", "H", "Sn" ]

5

A2BCD

AuGeH2Sn

Sn1 Ge1 H2 Au1

4

[ 1, 1, 1 ]

3

[ [ 3.84817569, 0, 0 ], [ 0, 5.40605559, 0 ], [ 0, 0, 3.84817569 ] ]

agm001514866

[ [ 0, 0, 1.924087845 ], [ 1.924087845, 0, 0 ], [ 0, 2.703027795, 0 ], [ 0, 0, 0 ], [ 1.924087845, 2.703027795, 1.924087845 ] ]

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

[ "H", "H", "Ge", "Au", "Sn" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 6.056008, 0, 0 ], [ 0, 5.8900204, 0 ], [ 0, 0, 6.056008 ] ]

-16.977833

[ 0, 0, 0, 0, 0 ]

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

0

1.409542

pbe

true

4a757560eab746be9f78ea0a7a4ebbc9_123_Sn1Ge1H2Au1

[ "Ba", "In", "Na", "Sn" ]

7

A2B2C2D

BaIn2Na2Sn2

Ba1 Na2 In2 Sn2

4

[ 1, 1, 1 ]

3

[ [ 5.04767822, 0, 0 ], [ 2.52383911, 4.37141757, 0 ], [ 2.52383911, 1.45713919, 9.50802662 ] ]

agm004549990

[ [ 0, 0, 0 ], [ 2.5238416086007187, 1.457140632567798, 5.378330589965901 ], [ 7.571514831399281, 4.371416127432202, 4.1296960300341 ], [ 5.047678245238391, 2.914278394571392, 3.1324203207616623 ], [ 5.047678194761609, 2.914278365428608, 6.375606299238338 ], [ 7.571519879077502, 4.371419041710582, 7.390437819022476 ], [ 2.523836560922499, 1.457137718289418, 2.1175888009775243 ] ]

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

[ "Ba", "Na", "Na", "In", "In", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.2857142857142857, 0.2857142857142857 ]

[ [ 2.7725787, 0, 0 ], [ 0, 2.7725787, 0 ], [ 0, 0, 2.5843585 ] ]

-20.418382

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00184772 ], [ 0, 0, -0.00184772 ], [ 0, 0, 0.00154362 ], [ 0, 0, -0.00154362 ], [ 0, 0, -0.00187602 ], [ 0, 0, 0.00187602 ] ]

-0.000005

1.619431

pbe

true

e452a5554dc7d5924e9249ab48298cb1_166_Ba1Na2In2Sn2

[ "Gd", "In", "Li", "Pr" ]

4

ABCD

GdInLiPr

Li1 Pr1 Gd1 In1

4

[ 1, 1, 1 ]

3

[ [ 5.4036058, 0, 0 ], [ 2.7018029, 4.67965989, 0 ], [ 2.7018029, 1.55988663, 4.41202566 ] ]

agm001381569

[ [ 8.1054087, 4.67965989, 3.309019245 ], [ 2.7018029, 1.55988663, 1.103006415 ], [ 0, 0, 0 ], [ 5.4036058, 3.11977326, 2.20601283 ] ]

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

[ "Pr", "Gd", "Li", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.6062313, 0, 0 ], [ 0, 1.6062313, 0 ], [ 0, 0, 1.6062313 ] ]

-24.600845

[ 0.145, 7.23, 0.009, -0.011 ]

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

7.889879

4.226559

pbe

true

134f1d0fa1370e062b9c8bfd2dd341fe_216_Li1Pr1Gd1In1

[ "La", "Mo", "N", "Rb" ]

12

A3BCD

LaMoN3Rb

Rb2 La2 Mo2 N6

4

[ 1, 1, 1 ]

3

[ [ 3.96577081, 0, 0 ], [ -1.98288541, 7.08613696, -0.02235995 ], [ 0, -2.16345746, 8.09983566 ] ]

agm005030454

[ [ -2.343337544141486e-8, 3.0888729591676722, 7.544948985226714 ], [ 1.982885423433375, 1.833806540832328, 0.5325267247732853 ], [ 1.9828874060829569, 1.0199991038116665, 4.829591517156213 ], [ -0.0000020060829566693836, 3.902680396188334, 3.2478841928437876 ], [ 0.000001962958483197186, -0.5782601948658882, 2.6848754158604273 ], [ 1.9828834370415165, 5.500939694865888, 5.392600294139573 ], [ 1.9828833985458036, 4.825645914537746, 1.7605037183961385 ], [ 1.9828854015429844, 3.5250860796025214, 5.129792062799602 ], [ 1.9828854048676512, -0.5768428896817213, 2.8613105979379707 ], [ -1.5429843072152207e-9, 1.3975934203974794, 2.9476836472003973 ], [ -4.867651299568633e-9, 5.4995223896817205, 5.21616511206203 ], [ 0.000002001454196463852, 0.09703358546225385, 6.316971991603861 ] ]

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

[ "Rb", "Rb", "La", "La", "Mo", "Mo", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 0.31911322, 0, 0 ], [ 0, 0.46481675, -0.02924231 ], [ 0, -0.02924239, 0.32277653 ] ]

-89.443806

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

[ [ 0, -0.00045399, 0.00008728 ], [ 0, 0.00045399, -0.00008728 ], [ 0, -0.00261974, -0.00215718 ], [ 0, 0.00261974, 0.00215718 ], [ 0, 0.00119933, 0.00378123 ], [ 0, -0.00119933, -0.00378123 ], [ 0, -0.00082271, -0.00443434 ], [ 0, 0.00114037, 0.00003397 ], [ 0, 0.00191948, -0.00409974 ], [ 0, -0.00114037, -0.00003397 ], [ 0, -0.00191948, 0.00409974 ], [ 0, 0.00082271, 0.00443434 ] ]

0

-0.096962

pbe

true

bbfc0ec0cde28508a4b6a573e4f6c2bc_12_Rb2La2Mo2N6

[ "Er", "Tm" ]

17

A9B8

Er8Tm9

Er8 Tm9

2

[ 1, 1, 1 ]

3

[ [ 10.71261243, 1e-8, 0 ], [ -5.35630639, 9.27739362, 0 ], [ 0, 0, 18.3022364 ] ]

agm2000121146

[ [ -2.238442876675286, 7.477294350902236, 7.4527389294217725 ], [ -1.2147380908046425e-7, 3.600198451242511, 7.452738563377045 ], [ 2.238442648149099, 7.47729426230738, 7.4527389294217725 ], [ 7.594749130927535, 1.8000992790977635, 7.4527389294217725 ], [ 3.117863391850905, 1.8000991821447478, 7.4527389294217725 ], [ 5.356306107910744, 5.677195271531425, 7.452738746399408 ], [ -2.7735585427109357e-7, 6.1849291142579785, 9.275997287315025 ], [ 5.35630621022973, 3.092464515742021, 9.275997287315025 ], [ 5.356307067640915, 5.910717845301408, 10.754975021623336 ], [ 2.915626893622423, 1.6833380806188456, 10.754975021623336 ], [ 7.796985151493419, 1.683337157436129, 10.754975021623336 ], [ 2.4406786107469305, 7.594056848216261, 10.754975021623336 ], [ 3.114356410198864e-7, 3.3666756919246565, 10.754975021623336 ], [ -2.4406798078132077, 7.594055452050571, 10.754975021623336 ], [ 5.356306107873876, 4.9999999e-9, 9.25691061706292 ], [ -2.678153195, 4.63869681, 9.25691061706292 ], [ 2.6781530735630605, 4.638696907773936, 9.256910800085285 ] ]

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

[ "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm" ]

2023-11-16 06:57:59

[ 0.47058823529411764, 0.5294117647058824 ]

[ [ 0.83905935, -2e-8, 0 ], [ -2e-8, 0.8390592, 0 ], [ 0, 0, 0.04123693 ] ]

-59.199726

[ -0.017, -0.017, -0.017, -0.017, -0.017, -0.017, 0.008, 0.008, 0.059, 0.059, 0.059, 0.059, 0.059, 0.059, 0.013, 0.013, 0.013 ]

[ [ -0.00269589, 0.00155647, -0.00310784 ], [ 0, -0.00311295, -0.00310784 ], [ 0.00269589, 0.00155647, -0.00310784 ], [ 0.00269589, -0.00155647, -0.00310784 ], [ -0.00269589, -0.00155647, -0.00310784 ], [ 0, 0.00311295, -0.00310784 ], [ 0, 0, -0.00117066 ], [ 0, 0, -0.00117066 ], [ 0, 0.00589221, 0.0031842 ], [ -0.0051028, -0.0029461, 0.0031842 ], [ 0.0051028, -0.0029461, 0.0031842 ], [ 0.0051028, 0.0029461, 0.0031842 ], [ 0, -0.00589221, 0.0031842 ], [ -0.0051028, 0.0029461, 0.0031842 ], [ 0, 0, 0.00062772 ], [ 0, 0, 0.00062772 ], [ 0, 0, 0.00062772 ] ]

0.505025

33.66919

pbe

true

a0d334dea185209f08c33d654b959c84_183_Er8Tm9

[ "Tc", "Ti" ]

8

A3B

TcTi3

Ti6 Tc2

2

[ 1, 1, 1 ]

3

[ [ 4.99635668, 0, 0 ], [ -2.49817833, 4.32697259, 0 ], [ 0, 0, 18.87583963 ] ]

agm2000128108

[ [ -0.8668302264324163, 4.326972546730273, 7.50000059425066 ], [ 1.682504207514891, 2.9141835438008488, 7.500000027975472 ], [ 4.180682618990391, 1.4127890894688766, 7.500000027975472 ], [ 1.6313481785129338, 0, 11.375839224507738 ], [ 1.6825042824602408, 2.914183587070575, 11.375839602024529 ], [ 4.180682569026825, 1.4127890894688766, 11.375839602024529 ], [ 2.498178343333335, 1.442324831289313, 9.437919815 ], [ 8.161201540517857e-8, 2.8846477154409604, 9.437919815 ] ]

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

[ "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 1.6487836, 0, 0 ], [ 0, 1.6487842, 0 ], [ 0, 0, -0.269726 ] ]

-61.674166

[ 0.524, 0.524, 0.524, 0.524, 0.524, 0.524, -0.117, -0.117 ]

[ [ -0.00382159, 0, -0.00233819 ], [ 0.00191079, 0.00330959, -0.00233819 ], [ 0.00191079, -0.00330959, -0.00233819 ], [ -0.00382159, 0, 0.00233819 ], [ 0.00191079, 0.00330959, 0.00233819 ], [ 0.00191079, -0.00330959, 0.00233819 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.682728

8.244962

pbe

true

26e41570ce85bd9886a4b4067153567d_189_Ti6Tc2

[ "Ag", "Ge", "Rb" ]

5

A3BC

Ag3GeRb

Rb1 Ag3 Ge1

3

[ 1, 1, 1 ]

3

[ [ 5.12937169, 0, 0 ], [ 0, 5.12937169, 0 ], [ 0, 0, 5.12937169 ] ]

agm002485083

[ [ 0, 0, 0 ], [ 2.564685845, 2.564685845, 2.564685845 ], [ 0, 2.564685845, 0 ], [ 0, 0, 2.564685845 ], [ 2.564685845, 0, 0 ] ]

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

[ "Ge", "Rb", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 4.5383735, 0, 0 ], [ 0, 4.5383735, 0 ], [ 0, 0, 4.5383735 ] ]

-13.878596

[ 0, 0, 0, 0, 0 ]

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

0

0.031268

pbe

true

de5093dd1d091231dd3d364c93e60e8d_221_Rb1Ag3Ge1

[ "B", "Cu", "Se" ]

8

A2BC

BCuSe2

Cu2 B2 Se4

3

[ 1, 1, 1 ]

3

[ [ 7.12435288, 0.00151872, -0.00169405 ], [ -2.93849545, 5.33320417, -0.0003055 ], [ 1.55481732, 0.98512837, 3.62558254 ] ]

agm003037481

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

[ "B", "B", "Se", "Se", "Se", "Se", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -2.2829983, -0.15389088, -0.52813107 ], [ -0.15389098, -1.6331288, 1.454199 ], [ -0.52813053, 1.4541987, -2.3427393 ] ]

-35.802336

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

[ [ -0.00388655, 0.00871598, 0.02078654 ], [ 0.00571798, -0.0112323, -0.02178665 ], [ 0.0146157, 0.00181694, -0.00259347 ], [ -0.01403063, -0.00322802, 0.00220269 ], [ 0.02041743, 0.01089088, -0.04183325 ], [ -0.01945763, -0.01308829, 0.04021104 ], [ 0.0038509, 0.00241212, -0.0044719 ], [ -0.00722721, 0.00371269, 0.00748499 ] ]

0

2.219235

pbe

true

406e7332e3c98dc502d192566e7046e6_2_Cu2B2Se4

[ "Cd", "Ga", "Ge" ]

5

A3BC

Cd3GaGe

Cd3 Ga1 Ge1

3

[ 1, 1, 1 ]

3

[ [ 5.13311702, 0, 0 ], [ 0, 5.13311702, 0 ], [ 0, 0, 5.13311702 ] ]

agm002480891

[ [ 2.56655851, 2.56655851, 2.56655851 ], [ 0, 0, 0 ], [ 0, 2.56655851, 0 ], [ 0, 0, 2.56655851 ], [ 2.56655851, 0, 0 ] ]

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

[ "Ge", "Ga", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 6.3985763, 0, 0 ], [ 0, 6.3985763, 0 ], [ 0, 0, 6.3985763 ] ]

-7.874336

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

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

0

3.317384

pbe

true

1443bfa404da34443d2786bbd0e869dc_221_Cd3Ga1Ge1

[ "Cd", "Li", "Na" ]

12

A6B5C

Cd6LiNa5

Na5 Li1 Cd6

3

[ 1, 1, 1 ]

3

[ [ 10.28931605, -0.96094556, 1.23634571 ], [ 2.1029501, 3.44825792, 2.24698194 ], [ 0.02239877, -1.56379218, 7.13229676 ] ]

agm006136087

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

[ "Na", "Na", "Na", "Na", "Na", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Li" ]

2023-11-16 06:57:59

[ 0.5, 0.08333333333333333, 0.4166666666666667 ]

[ [ 3.4101737, 0.06137357, -0.05200877 ], [ 0.06137343, 3.7860394, -0.05728671 ], [ -0.05200885, -0.05728669, 3.869684 ] ]

-15.006651

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

[ [ -0.00028287, -0.00090376, 0.00165166 ], [ 0.00039667, 0.00126735, -0.00231614 ], [ -0.00039667, -0.00126735, 0.00231614 ], [ 0, 0, 0 ], [ 0.00028287, 0.00090376, -0.00165166 ], [ -0.00184909, -0.00044608, -0.00056076 ], [ -0.00219658, -0.00243544, 0.00682125 ], [ -0.0000023, -0.00459004, 0.00601808 ], [ 0.00219658, 0.00243544, -0.00682125 ], [ 0.0000023, 0.00459004, -0.00601808 ], [ 0.00184909, 0.00044608, 0.00056076 ], [ 0, 0, 0 ] ]

0.000001

4.719539

pbe

true

cbabc2de420d0997e99514473d725e7a_65_Na5Li1Cd6

[ "Cl", "I", "Te" ]

12

A4BC

ClI4Te

Te2 I8 Cl2

3

[ 1, 1, 1 ]

3

[ [ 6.45689646, 0, -0.04560796 ], [ 0, 9.40730138, 0 ], [ -1.74111563, -4.70365069, 9.75153645 ] ]

agm003757308

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

[ "Te", "Te", "I", "I", "I", "I", "I", "I", "I", "I", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 0.01690759, 0, 0.02866223 ], [ 0, 0.13972473, 0 ], [ 0.02866215, 0, 0.01066187 ] ]

-22.761183

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

[ [ 0.0012154, 0, -0.00107463 ], [ -0.0012154, 0, 0.00107463 ], [ -0.00300759, 0, 0.00581987 ], [ -0.00151298, -0.00056265, 0.00055101 ], [ 0, 0.00043731, 0 ], [ 0.00151298, -0.00056265, -0.00055101 ], [ 0.00300759, 0, -0.00581987 ], [ 0.00151298, 0.00056265, -0.00055101 ], [ 0, -0.00043731, 0 ], [ -0.00151298, 0.00056265, 0.00055101 ], [ 0.00060868, 0, -0.00353094 ], [ -0.00060868, 0, 0.00353094 ] ]

0.000799

9.522297

pbe

true

220c20ecbd4a293121ad1ac294067181_12_Te2I8Cl2

[ "Cu", "Ga", "La" ]

18

A6B2C

Cu2GaLa6

La12 Ga2 Cu4

3

[ 1, 1, 1 ]

3

[ [ 8.84837447, -0.05038079, 0.10277468 ], [ -3.39911871, 8.16959369, -0.10277468 ], [ -2.83818904, -3.98338923, 7.3745593 ] ]

agm003502447

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

[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Ga", "Ga", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.1111111111111111, 0.6666666666666666 ]

[ [ -1.2275491, -0.0261914, -0.02075371 ], [ -0.0261914, -1.2489948, 0.01392897 ], [ -0.02075371, 0.01392897, -1.2115947 ] ]

-84.839478

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

[ [ 0.00069653, 0.00337349, -0.0013446 ], [ -0.00069653, -0.00337349, 0.0013446 ], [ -0.00285807, -0.00192275, -0.0013446 ], [ 0.00285807, 0.00192275, 0.0013446 ], [ 0.00077568, -0.0005206, 0.00348306 ], [ -0.00077568, 0.0005206, -0.00348306 ], [ -0.00286536, 0.0019231, -0.0010468 ], [ 0.00286536, -0.0019231, 0.0010468 ], [ -0.00078755, 0.00483748, 0.00324268 ], [ 0.00078755, -0.00483748, -0.00324268 ], [ -0.00477521, -0.00110401, 0.00324268 ], [ 0.00477521, 0.00110401, -0.00324268 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00190603, 0.00127924, 0.00222215 ], [ 0.00190603, -0.00127924, -0.00222215 ], [ 0.01250793, -0.00839477, 0.01556124 ], [ -0.01250793, 0.00839477, -0.01556124 ] ]

0.000033

23.70962

pbe

true

57c057b46760e5e9b29a240255841e1f_71_La12Ga2Cu4

[ "Ga", "Ir", "Lu" ]

4

A2BC

Ga2IrLu

Lu1 Ga2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 4.24644876, 0, 0 ], [ 2.12322438, 3.6775325, 0 ], [ 2.12322438, 1.22584417, 4.6752495 ] ]

agm001952259

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

[ "Ir", "Lu", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.5208485, 0, 0 ], [ 0, 2.5208485, 0 ], [ 0, 0, 2.8350818 ] ]

-21.863155

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00244621 ], [ 0, 0, -0.00244621 ] ]

-0.000107

3.116207

pbe

true

055d183008b8e1cdc402803e206cfab8_166_Lu1Ga2Ir1

[ "Hf", "O", "Ti" ]

10

A3BC

HfOTi3

Hf2 Ti6 O2

3

[ 1, 1, 1 ]

3

[ [ 4.83318793, -0.00018454, 0.00005322 ], [ 0.00015083, 5.32313518, 0.00303912 ], [ -0.0000822, 0.00165816, 6.03226919 ] ]

agm005900565

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

[ "Hf", "Hf", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.30345193, 6.9e-7, 0.00000167 ], [ 6.9e-7, 0.43153173, -0.00349985 ], [ 0.00000167, -0.00347652, 0.11544704 ] ]

-88.172975

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

[ [ 0.00093516, -0.00138632, -0.00014272 ], [ 0.00093523, 0.00138625, 0.00014274 ], [ -0.00043945, 0.00237459, -0.0001873 ], [ -0.00048786, -0.00055193, -0.00026689 ], [ 0.0002248, 0.00071971, -0.00070884 ], [ -0.00043959, -0.00237456, 0.00018729 ], [ -0.00048784, 0.00055196, 0.00026688 ], [ 0.00022474, -0.00071973, 0.00070885 ], [ -0.00023263, -0.00105029, 0.00011489 ], [ -0.00023256, 0.00105031, -0.00011489 ] ]

-0.000098

8.35401

pbe

true

6fbef72aa8caac140f6125f36c75b9f2_31_Hf2Ti6O2

[ "In", "Ta", "Zn" ]

12

ABC

InTaZn

Ta4 Zn4 In4

3

[ 1, 1, 1 ]

3

[ [ 4.63103612, 0, 0 ], [ -2.31551806, 4.01059492, 0 ], [ 0, 0, 11.69399903 ] ]

agm002325799

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

[ "Zn", "Zn", "Zn", "Zn", "In", "In", "In", "In", "Ta", "Ta", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.447253, 0, 0 ], [ 0, 4.447253, 0 ], [ 0, 0, 4.2646794 ] ]

-60.262812

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

[ [ 0, 0, 0.00614499 ], [ 0, 0, 0.00614499 ], [ 0, 0, -0.00614499 ], [ 0, 0, -0.00614499 ], [ 0, 0, -0.00021189 ], [ 0, 0, -0.00021189 ], [ 0, 0, 0.00021189 ], [ 0, 0, 0.00021189 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000735

11.625837

pbe

true

198e4a2f72fe7c7083d08211459c3a9a_194_Ta4Zn4In4

[ "O", "Pb", "Pm" ]

9

A4B3C2

O2Pb3Pm4

Pm4 Pb3 O2

3

[ 1, 1, 1 ]

3

[ [ 3.79523007, 1e-8, 0.94635076 ], [ 1.27045139, 6.57221114, 2.98833886 ], [ -0.35042489, -0.04022447, 9.48867939 ] ]

agm005643524

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

[ "Pm", "Pm", "Pm", "Pm", "Pb", "Pb", "Pb", "O", "O" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.3333333333333333, 0.4444444444444444 ]

[ [ -0.10699742, 0.01662563, -0.05903413 ], [ 0.01662562, -0.00098891, -0.06667514 ], [ -0.05903413, -0.06667518, 0.11503186 ] ]

-53.827935

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

[ [ -0.00037295, 0.00164721, 0.00149567 ], [ 0.00037295, -0.00164721, -0.00149567 ], [ -0.0002794, -0.00365418, 0.00112049 ], [ 0.0002794, 0.00365418, -0.00112049 ], [ 0.00018998, -0.00009665, -0.00076188 ], [ 0, 0, 0 ], [ -0.00018998, 0.00009665, 0.00076188 ], [ 0.00034632, -0.00388502, -0.00138888 ], [ -0.00034632, 0.00388502, 0.00138888 ] ]

0

5.138295

pbe

true

7b42262baafde24938b132860fa68fdf_12_Pm4Pb3O2

[ "Al", "Cr", "Dy", "Ge" ]

10

A2BCD

AlCrDyGe2

Dy2 Al2 Cr2 Ge4

4

[ 1, 1, 1 ]

3

[ [ 5.77426172, 0, 0 ], [ 0, 5.42425362, 0 ], [ 0, 0, 5.69299863 ] ]

agm005005804

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

[ "Dy", "Dy", "Al", "Al", "Cr", "Cr", "Ge", "Ge", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 2.90709, 0, 0 ], [ 0, 3.0970182, 0 ], [ 0, 0, 3.1153803 ] ]

-57.800592

[ -0.026, -0.026, 0.001, 0.001, 0.345, 0.345, -0.007, -0.007, -0.007, -0.007 ]

[ [ 0.0026905, 0, 0 ], [ -0.0026905, 0, 0 ], [ -0.00136121, 0, 0 ], [ 0.00136121, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00701608, 0, 0.00229216 ], [ 0.00701608, 0, -0.00229216 ], [ -0.00701608, 0, 0.00229216 ], [ -0.00701608, 0, -0.00229216 ] ]

0.642597

5.598064

pbe

true

d13e38ba9a91d78d7f383f79fca3ebce_51_Dy2Al2Cr2Ge4

[ "As", "Er", "Ho", "O" ]

12

A8B2CD

As2ErHoO8

Ho1 Er1 As2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.02371025, -2.7e-7, 0 ], [ 2.7e-7, 5.02371025, 0 ], [ -2.51185526, -2.51185499, 5.62860711 ] ]

agm004889037

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

[ "Ho", "Er", "As", "As", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.08333333333333333, 0.6666666666666666 ]

[ [ 0.46183798, -0.00000198, 0 ], [ 0.00000198, 0.46183798, 0 ], [ 0, 0, 1.2284806 ] ]

-86.458704

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00175219, -0.00362773, -0.00221645 ], [ 0.00175219, 0.00362773, -0.00221645 ], [ -0.00335447, 0.00159026, -0.00260867 ], [ 0.00335447, -0.00159026, -0.00260867 ], [ 0.00159026, 0.00335447, 0.00260867 ], [ -0.00159026, -0.00335447, 0.00260867 ], [ 0.00362773, -0.00175219, 0.00221645 ], [ -0.00362773, 0.00175219, 0.00221645 ] ]

0.000001

0

pbe

true

ecd2506528d6e4e864fe29d1c92531a3_82_Ho1Er1As2O8

[ "Au", "K", "O", "Pa" ]

9

A6BCD

AuKO6Pa

K1 Pa1 Au1 O6

4

[ 1, 1, 1 ]

3

[ [ 4.85708007, 0, 0 ], [ 0, 5.6253193, 0 ], [ 0, -2.81265965, 4.87166942 ] ]

agm005100784

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

[ "K", "Pa", "Au", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]

[ [ 1.3266963, 0, 0 ], [ 0, 0.5298969, 0 ], [ 0, 0, 0.5298969 ] ]

-55.613144

[ 0.005, -0.086, 0.052, 0.153, 0.153, 0.153, 0.153, 0.153, 0.153 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00167423, -0.00095872, 0.00266786 ], [ 0.00167423, -0.00183108, -0.00216421 ], [ 0.00167423, 0.0027898, -0.00050366 ], [ -0.00167423, -0.0027898, -0.00050366 ], [ -0.00167423, 0.00183108, -0.00216421 ], [ -0.00167423, 0.00095872, 0.00266786 ] ]

1.067648

6.137223

pbe

true

ec43e842fea3a9c3d47c21d9a700837b_149_K1Pa1Au1O6

[ "Au", "O", "Rb", "Se" ]

12

A8B2CD

AuO8RbSe2

Rb1 Au1 Se2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.14466427, -0.00000578, 0 ], [ 2.57233714, 4.45540706, 0 ], [ 2.5723338, 1.48513376, 8.98232953 ] ]

agm004873982

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

[ "Rb", "Au", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.08333333333333333, 0.16666666666666666 ]

[ [ 0.6594594, -0.00000563, 0 ], [ 0.00000563, 0.6594594, 0 ], [ 0, 0, 1.4231864 ] ]

-58.13394

[ 0.001, 0.862, 0.012, 0.012, 0.064, 0.138, 0.064, 0.138, 0.138, 0.138, 0.138, 0.138 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00171171 ], [ 0, 0, -0.00171171 ], [ 0, 0, 0.00188663 ], [ -0.00089845, -0.00355157, 0.00242714 ], [ 0, 0, -0.00188663 ], [ 0.00352497, 0.00099771, 0.00242714 ], [ -0.00352497, -0.00099771, -0.00242714 ], [ -0.00262652, 0.00255386, 0.00242714 ], [ 0.00262652, -0.00255386, -0.00242714 ], [ 0.00089845, 0.00355157, -0.00242714 ] ]

2.015462

-0.251049

pbe

true

f52ab6767dd3c2b9c1c5f049436dcf43_148_Rb1Au1Se2O8

[ "Fe", "Sb", "Si" ]

4

A2BC

FeSb2Si

Fe1 Si1 Sb2

3

[ 1, 1, 1 ]

3

[ [ 4.87702978, 0, 0 ], [ 2.43851489, 4.22363168, 0 ], [ 2.43851489, 1.40787723, 3.98207814 ] ]

agm004208878

[ [ 4.87702978, 2.8157544550000004, 1.99103907 ], [ 0, 0, 0 ], [ 2.43851489, 1.4078772275000002, 0.995519535 ], [ 7.31554467, 4.223631682500001, 2.986558605 ] ]

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

[ "Fe", "Sb", "Sb", "Si" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6107858, 0, 0 ], [ 0, 1.6107858, 0 ], [ 0, 0, 1.6107858 ] ]

-19.266692

[ 2.733, 0.015, -0.022, -0.029 ]

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

2.599139

4.869208

pbe

true

a0b58f17147d9ca537d9e2d4af3c181c_216_Fe1Si1Sb2

[ "Mg", "Si" ]

12

A2B

MgSi2

Mg4 Si8

2

[ 1, 1, 1 ]

3

[ [ 1.85744535, 11.83094941, 0.11731061 ], [ -1.85744535, 11.83094941, 0.11731061 ], [ 0, 0.70708645, 5.34185732 ] ]

agm005259990

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

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

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 0.3239384, 0, 0 ], [ 0, 0.19655447, 0.07777341 ], [ 0, 0.07777328, 0.46414423 ] ]

-48.91751

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

[ [ 0, 0.00358169, 0.00080323 ], [ 0, -0.00358169, -0.00080323 ], [ 0, -0.0000913, 0.00488978 ], [ 0, 0.0000913, -0.00488978 ], [ 0, -0.00230363, 0.00033077 ], [ 0, 0.00230363, -0.00033077 ], [ 0, -0.00072187, -0.0007498 ], [ 0, 0.00072187, 0.0007498 ], [ 0, 0.00304307, 0.00094737 ], [ 0, -0.00304307, -0.00094737 ], [ 0, -0.00075108, 0.00286529 ], [ 0, 0.00075108, -0.00286529 ] ]

-0.000001

2.134658

pbe

true

aa55def34e797395f4d66b4f1642ebd8_12_Mg4Si8

[ "Cd", "O", "Pd" ]

7

A4B2C

CdO4Pd2

Cd1 Pd2 O4

3

[ 1, 1, 1 ]

3

[ [ 3.04325641, 0, 0 ], [ 0, 6.14371153, -1.07511891 ], [ 0, -0.95142113, 5.78065904 ] ]

agm006026091

[ [ 0, -0.475710565, 2.89032952 ], [ 1.521628205, 3.071855765, -0.537559455 ], [ 0, 0, 0 ], [ 0, 4.333911811130438, -0.07097653885165128 ], [ 1.521628205, 0.5279638378235552, 1.2954040681373706 ], [ 1.521628205, 4.6643327058879755, 3.410134986743719 ], [ 0, 0.8583785888695621, 4.776516668851651 ] ]

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

[ "Cd", "Pd", "Pd", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.5714285714285714, 0.2857142857142857 ]

[ [ 0.48626915, 0, 0 ], [ 0, 0.30288562, -0.00640353 ], [ 0, -0.00640316, 0.24613196 ] ]

-34.445982

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00153159, 0.00087518 ], [ 0, -0.00184652, -0.00192947 ], [ 0, 0.00184652, 0.00192947 ], [ 0, -0.00153159, -0.00087518 ] ]

-0.000005

-0.181501

pbe

true

dfcfe63256a9ea7d9090f0ef7c34e637_10_Cd1Pd2O4

[ "Ge", "Nd", "Ni" ]

10

A3BC

GeNdNi3

Nd2 Ni6 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.45318112, 0, 0 ], [ 0, 6.29529941, 0 ], [ 0, 0, 6.30698872 ] ]

agm003718651

[ [ 2.22659056, 0, 0 ], [ 2.22659056, 3.147649705, 3.15349436 ], [ 2.22659056, 3.147649705, 0 ], [ 2.22659056, 0, 3.15349436 ], [ 0, 4.720146752948443, 1.5779899090573886 ], [ 0, 1.5724970479484428, 1.575504450942611 ], [ 0, 1.5751526570515573, 4.728998810942611 ], [ 0, 4.722802362051557, 4.731484269057389 ], [ 0, 3.147649705, 0 ], [ 0, 0, 3.15349436 ] ]

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

[ "Nd", "Nd", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ge", "Ge" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -5.639075, 0, 0 ], [ 0, -5.638333, 0 ], [ 0, 0, -5.438935 ] ]

-54.599879

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00149689, -0.0000633 ], [ 0, 0.00149689, 0.0000633 ], [ 0, -0.00149689, 0.0000633 ], [ 0, -0.00149689, -0.0000633 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00003

10.46664

pbe

true

ea3301923aefca7fc40ba0a303c67f06_221_Nd2Ni6Ge2

[ "Ag", "Al", "Hg", "Sc" ]

5

A2BCD

AgAlHg2Sc

Sc1 Al1 Ag1 Hg2

4

[ 1, 1, 1 ]

3

[ [ 5.04148317, 0, 0 ], [ 0, 4.81465918, 0 ], [ 0, 0, 5.04148317 ] ]

agm001496348

[ [ 2.520741585, 2.40732959, 2.520741585 ], [ 0, 0, 2.520741585 ], [ 2.520741585, 0, 0 ], [ 0, 2.40732959, 0 ], [ 0, 0, 0 ] ]

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

[ "Sc", "Hg", "Hg", "Ag", "Al" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 6.001615, 0, 0 ], [ 0, 1.5707306, 0 ], [ 0, 0, 6.001615 ] ]

-12.130077

[ 0, 0, 0, 0, 0 ]

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

0

3.316073

pbe

true

a4adb9ea21de0ab414edcfa0fa7b3788_123_Sc1Al1Ag1Hg2

[ "As", "Fe", "Mn" ]

6

A4BC

As4FeMn

As4 Fe1 Mn1

3

[ 1, 1, 1 ]

3

[ [ 5.345015953, 0, 0 ], [ 0, 2.890681967, 0 ], [ -0.030084889, 0, 6.056910667 ] ]

oqmd-6526294

[ [ 3.64405, 0, 0.81561 ], [ 0.94246, 1.44534, 2.17594 ], [ 4.372470000000001, 1.44534, 3.88097 ], [ 1.67088, 0, 5.2413 ], [ 0, 1.44534, 0 ], [ 2.65747, 0, 3.0284600000000004 ] ]

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

[ "As", "As", "As", "As", "Fe", "Mn" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 10.60733676, 0, 0.87179055 ], [ 0, 7.86565358, 0 ], [ 0.87179055, 0, 8.31774119 ] ]

-37.3489

[ -0.011, -0.031, -0.031, -0.011, -0.127, 1.21 ]

[ [ 0.005193, 0, 0.000646 ], [ -0.01135, 0, 0.031315 ], [ 0.01135, 0, -0.031315 ], [ -0.005193, 0, -0.000646 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.999214

null

pbe

false

ee76f628db95494955f1ce30be637bf9_10_Mn1Fe1As4

[ "Ho", "Se", "Sn" ]

20

A3BC

Ho3SeSn

Ho12 Sn4 Se4

3

[ 1, 1, 1 ]

3

[ [ 6.61282974, 0, 0 ], [ 0, 10.75115899, 0.36862465 ], [ 0, -4.55099227, 7.84261781 ] ]

agm003727177

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

[ "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Sn", "Sn", "Sn", "Sn", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.0691757, 0, 0 ], [ 0, 0.87985754, 0.01866051 ], [ 0, 0.01866065, 1.0509813 ] ]

-102.190598

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

[ [ -0.00161668, -0.00051068, 0.00429778 ], [ 0.00176269, 0.0014543, -0.00234584 ], [ 0.00161668, -0.00051068, 0.00429778 ], [ -0.00093106, -0.00099693, -0.00014658 ], [ -0.00176269, 0.0014543, -0.00234584 ], [ -0.00093106, 0.00099693, 0.00014658 ], [ 0.00093106, -0.00099693, -0.00014658 ], [ 0.00176269, -0.0014543, 0.00234584 ], [ 0.00093106, 0.00099693, 0.00014658 ], [ -0.00161668, 0.00051068, -0.00429778 ], [ -0.00176269, -0.0014543, 0.00234584 ], [ 0.00161668, 0.00051068, -0.00429778 ], [ -0.00193043, -0.00277107, 0.00225906 ], [ 0.00193043, -0.00277107, 0.00225906 ], [ -0.00193043, 0.00277107, -0.00225906 ], [ 0.00193043, 0.00277107, -0.00225906 ], [ -0.00322312, 0.00215327, 0.00192995 ], [ 0.00322312, 0.00215327, 0.00192995 ], [ -0.00322312, -0.00215327, -0.00192995 ], [ 0.00322312, -0.00215327, -0.00192995 ] ]

0.000241

19.814772

pbe

true

b7ff84b9900fea191b4ebe0395127f32_14_Ho12Sn4Se4

[ "Dy", "N", "Pr", "Pu" ]

8

A4B2CD

Dy2N4PrPu

Pr1 Dy2 Pu1 N4

4

[ 1, 1, 1 ]

3

[ [ 3.53292819, 0, 0 ], [ 0, 6.10371848, 0.11422139 ], [ 0, -2.12728014, 5.71522638 ] ]

agm004848343

[ [ 1.766464095, 3.05185924, 0.057110695 ], [ 1.766464095, -1.06364007, 2.85761319 ], [ 0, 1.9882191700000003, 2.914723885 ], [ 0, 0, 0 ], [ 1.766464095, 0.9255830910000181, 1.4535071925167893 ], [ 1.766464095, 3.0508552489999823, 4.3759405774832105 ], [ 0, -0.1481601846783447, 4.2799866087354 ], [ 0, 4.124598524678345, 1.5494611612646005 ] ]

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

[ "Pr", "Dy", "Dy", "Pu", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.125, 0.125 ]

[ [ 0.03242426, 0, 0 ], [ 0, 0.00097215, -0.00522828 ], [ 0, -0.00522832, 0.05028292 ] ]

-73.23735

[ 0.09, 0.071, 0.107, 4.62, -0.123, -0.123, -0.072, -0.072 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00142741, 0.00001956 ], [ 0, 0.00142741, -0.00001956 ], [ 0, 0.00052932, -0.00171406 ], [ 0, -0.00052932, 0.00171406 ] ]

4.723692

7.493845

pbe

true

441f0b5908d1829d13d91e9014dbc79b_10_Pr1Dy2Pu1N4

[ "Ce", "Co", "Pm" ]

6

ABC

CeCoPm

Ce2 Pm2 Co2

3

[ 1, 1, 1 ]

3

[ [ 5.3516072, 0, 0 ], [ 0, 6.65015454, -0.18916509 ], [ -2.6758036, -2.03605495, 4.18203823 ] ]

agm003603082

[ [ 2.6758063025616363, 5.144361111168429, 0.8027933864584182 ], [ -0.000002702561636047485, -0.5302615211684288, 3.1900797535415815 ], [ 2.2909288138436068e-17, 1.779284059103027, 0.872979437520428 ], [ 2.6758036000000005, 2.8348155308969734, 3.1198937024795717 ], [ 2.6758062758036, 0.45831680021238513, 1.950531235142261 ], [ -0.0000026758036000035065, 4.155782789787614, 2.042341904857739 ] ]

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

[ "Ce", "Ce", "Pm", "Pm", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.3003795, 0, 0 ], [ 0, 2.9574041, -0.19946192 ], [ 0, -0.1994676, 3.0042963 ] ]

-36.129563

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

[ [ 0, 0.0017929, -0.0016908 ], [ 0, -0.0017929, 0.0016908 ], [ 0, 0.00147208, -0.00011721 ], [ 0, -0.00147208, 0.00011721 ], [ 0, -0.00497227, -0.00232058 ], [ 0, 0.00497227, 0.00232058 ] ]

-0.000007

9.941389

pbe

true

5fd7c3fb8e73b330f70163952f2de89f_12_Ce2Pm2Co2

[ "Ga", "Ge", "H", "Na" ]

4

ABCD

GaGeHNa

Na1 Ga1 Ge1 H1

4

[ 1, 1, 1 ]

3

[ [ 3.87883666, 0, 0 ], [ 1.93941833, 3.12779387, -0.02086868 ], [ 1.93941833, 0.96767808, 6.33002076 ] ]

agm005209975

[ [ 3.8788366793941833, 2.5234609587918047, 6.289792328150674 ], [ 5.818255009394184, 3.4778161232032914, 3.5733714461829527 ], [ 3.8788366406058166, 2.516196157071055, 2.2714704968476 ], [ 5.81825499, 3.493344076931588, 5.233732991883687 ] ]

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

[ "Na", "Ga", "Ge", "H" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 4.215143, 0, 0 ], [ 0, 4.312014, 0.02604602 ], [ 0, 0.02604706, 4.449182 ] ]

-12.376802

[ 0, 0, 0, 0 ]

[ [ 0, -0.00173449, 0.00020479 ], [ 0, 0.00162884, 0.00485498 ], [ 0, 0.00125397, -0.00065526 ], [ 0, -0.00114832, -0.00440452 ] ]

0

0.33248

pbe

true

37b4dcf0325a51f2477394a2049c6cd7_8_Na1Ga1Ge1H1

[ "K", "Li", "Na", "Pt" ]

5

A2BCD

KLi2NaPt

K1 Na1 Li2 Pt1

4

[ 1, 1, 1 ]

3

[ [ 4.9993411, 0, 0 ], [ 0, 4.9993411, 0 ], [ 0, 0, 5.6055201 ] ]

agm001646640

[ [ 0, 0, 2.80276005 ], [ 2.49967055, 2.49967055, 2.80276005 ], [ 0, 0, 0 ], [ 0, 2.49967055, 0 ], [ 2.49967055, 0, 0 ] ]

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

[ "Na", "K", "Pt", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.8298209, 0, 0 ], [ 0, 1.8298209, 0 ], [ 0, 0, 1.5586889 ] ]

-12.756819

[ 0, 0, 0, 0, 0 ]

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

0

1.938468

pbe

true

aa194eba4ce8e454f41dc64815a10734_123_K1Na1Li2Pt1

[ "Mg", "Pm", "Pr", "Sm" ]

9

A4B2C2D

MgPm2Pr4Sm2

Pm2 Pr4 Sm2 Mg1

4

[ 1, 1, 1 ]

3

[ [ 6.83156072, 1.19889282, 0.88254471 ], [ -0.05118176, 8.65799538, 2.10170046 ], [ -2.78179257, -3.1787586, 4.18049913 ] ]

agm004569572

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

[ "Pm", "Pm", "Pr", "Pr", "Pr", "Pr", "Sm", "Sm", "Mg" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.4444444444444444, 0.2222222222222222 ]

[ [ 0.3140566, -0.00779999, -0.0241224 ], [ -0.00779997, 0.24775852, -0.01614047 ], [ -0.02412245, -0.01614036, 0.34386942 ] ]

-39.200504

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

[ [ 0.00011392, 0.00181259, -0.00075601 ], [ -0.00011392, -0.00181259, 0.00075601 ], [ -0.00016028, -0.00092492, 0.00010533 ], [ -0.00089065, -0.00068823, 0.00056071 ], [ 0.00016028, 0.00092492, -0.00010533 ], [ 0.00089065, 0.00068823, -0.00056071 ], [ -0.00030703, -0.00223422, 0.00290805 ], [ 0.00030703, 0.00223422, -0.00290805 ], [ 0, 0, 0 ] ]

-0.000002

12.560509

pbe

true

c4078ab828c58ffbf4436d49db9eea01_2_Pm2Pr4Sm2Mg1

[ "Au", "Li", "P", "W" ]

5

A2BCD

AuLiP2W

Li1 P2 W1 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.64620407, 0, 0 ], [ 0, 5.25928119, 0 ], [ 0, 0, 4.64620407 ] ]

agm001443715

[ [ 0, 0, 2.323102035 ], [ 2.323102035, 0, 0 ], [ 0, 2.629640595, 0 ], [ 0, 0, 0 ], [ 2.323102035, 2.629640595, 2.323102035 ] ]

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

[ "P", "P", "Au", "W", "Li" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 2.187561, 0, 0 ], [ 0, 3.6831095, 0 ], [ 0, 0, 2.187561 ] ]

-27.964086

[ 0, 0, 0, 0, 0 ]

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

0

2.435052

pbe

true

beded3e92d52408efbc8a77dfde27bfa_123_Li1P2W1Au1

[ "Au", "Sm", "Sn", "Zr" ]

4

ABCD

AuSmSnZr

Sm1 Zr1 Sn1 Au1

4

[ 1, 1, 1 ]

3

[ [ 5.12900775, 0, 0 ], [ 2.56450387, 4.441851, 0 ], [ 2.56450387, 1.480617, 4.18781729 ] ]

agm001335172

[ [ 0, 0, 0 ], [ 7.6935116175, 4.441851, 3.1408629675 ], [ 2.5645038725, 1.480617, 1.0469543225 ], [ 5.129007745, 2.961234, 2.093908645 ] ]

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

[ "Zr", "Au", "Sn", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.5568016, 0, 0 ], [ 0, 3.5568016, 0 ], [ 0, 0, 3.5568016 ] ]

-22.537331

[ 0, 0, 0, 0 ]

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

0.000055

3.70598

pbe

true

9a2e1d02142ab27515730f1b400f8c65_216_Sm1Zr1Sn1Au1

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

19

A12B6C

Cu6Mg12Pb

Mg12 Cu6 Pb1

3

[ 1, 1, 1 ]

3

[ [ 7.37130727, 0, -2.60615085 ], [ -3.68565313, 6.38373845, -2.60614985 ], [ 0, 0, 7.81845155 ] ]

agm006129024

[ [ 1.7557156350365584, 0.65788637994627, 5.335502783732629 ], [ 0.3798348954746162, 3.0409817147359566, -0.5371670660902472 ], [ 3.305819244525383, 3.342756735264044, 3.1433179160902465 ], [ 1.9299385049634414, 5.72585207005373, -2.7293519337326293 ], [ -2.2380527566723774, 5.192194006393074, -0.12319600596200261 ], [ 2.8234852124394676, 1.191544443606926, 0.5371672527433268 ], [ 0.8621689275605326, 5.192194006393074, 2.0689835972566724 ], [ 5.923706896672377, 1.191544443606926, 2.729346855962002 ], [ 4.927656953035148, 1.8494372711290306, -2.0689912041820486 ], [ 0.30810409417893186, 1.8494372711290306, 2.482951501536329 ], [ 3.377550045821068, 4.534301178870969, 0.12319934846367114 ], [ -1.2420028130351486, 4.534301178870969, 4.675142054182048 ], [ 0.8813692556449431, 3.191869225, 4.532447945316271 ], [ 2.8042848843550567, 3.191869225, -1.926297095316271 ], [ 0.4807293463091312, 5.551091676132528, -0.6798528851161992 ], [ 3.2049247936908687, 0.8326467738674714, 3.286003735116199 ], [ 5.047751731954074, 2.3592224511325286, 0.6798532546837288 ], [ -1.3620975919540743, 4.0245159988674715, 1.9262975953162709 ], [ 0, 0, 0 ] ]

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

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

2023-11-16 06:57:59

[ 0.3157894736842105, 0.631578947368421, 0.05263157894736842 ]

[ [ -1.7768807, -1.4e-7, 8e-8 ], [ -1.4e-7, -1.7768803, -1.4e-7 ], [ 8e-8, -1.4e-7, -1.7768806 ] ]

-47.367088

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

[ [ -0.00298649, 0.00512482, 0.00422353 ], [ 0.00295882, -0.00517275, -0.0041844 ], [ -0.00295882, 0.00517275, 0.0041844 ], [ 0.00298649, -0.00512482, -0.00422353 ], [ 0.00294498, 0.00514879, -0.00422353 ], [ -0.00300032, -0.00514879, 0.0041844 ], [ 0.00300032, 0.00514879, -0.0041844 ], [ -0.00294498, -0.00514879, 0.00422353 ], [ 0.00595914, -0.00002396, 0.0041844 ], [ -0.00593147, -0.00002396, -0.00422353 ], [ 0.00593147, 0.00002396, 0.00422353 ], [ -0.00595914, 0.00002396, -0.0041844 ], [ 0.01235859, 0, 0.00873884 ], [ -0.01235859, 0, -0.00873884 ], [ -0.00617929, 0.01070285, 0.00873884 ], [ 0.00617929, -0.01070285, -0.00873884 ], [ 0.00617929, 0.01070285, -0.00873884 ], [ -0.00617929, -0.01070285, 0.00873884 ], [ 0, 0, 0 ] ]

-0.000012

10.977031

pbe

true

f2c846339c4076a0895d172aaca5568e_204_Mg12Cu6Pb1

[ "Co", "Li", "Nb", "Sb" ]

12

A4B4C3D

Co4LiNb3Sb4

Co4 Li1 Nb3 Sb4

4

[ 1, 1, 1 ]

3

[ [ -2.974251, 2.974251, 5.914538 ], [ 2.974251, -2.974251, 5.914538 ], [ 2.974251, 2.974251, -5.914538 ] ]

oqmd-4048906

[ [ -1.576190000000001, 1.576190000000001, 7.462360000000001 ], [ 1.576190000000001, -1.576190000000001, 7.46236 ], [ 1.3980599999999987, 1.398059999999999, -1.5478199999999926 ], [ 1.5761900000000009, 1.5761900000000009, 4.3667200000000035 ], [ 6.316395238441747e-17, -6.316395238441747e-17, 5.914539999999995 ], [ 0, 0, 0 ], [ 1.147029356937262e-16, 2.9742499999999996, 2.957270000000003 ], [ 2.9742499999999996, 1.147029356937262e-16, 2.957270000000003 ], [ -4.6393874991386865e-18, 4.6393874991386865e-18, 3.1011600000000024 ], [ 2.1340246206941635e-16, -2.1340246206941635e-16, 8.727920000000001 ], [ -1.0734166923130511e-16, 2.97425, 1.5906225746390355e-16 ], [ 2.97425, -1.0734166923130511e-16, 1.5906225746390355e-16 ] ]

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

[ "Co", "Co", "Co", "Co", "Li", "Nb", "Nb", "Nb", "Sb", "Sb", "Sb", "Sb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.08333333333333333, 0.25, 0.3333333333333333 ]

[ [ 13.20885, 0, 0 ], [ 0, 13.20885, 0 ], [ 0, 0, 13.20359 ] ]

-82.3139

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

[ [ 0.029779, -0.029779, -0.037001 ], [ -0.029779, 0.029779, -0.037001 ], [ 0.029779, 0.029779, 0.037001 ], [ -0.029779, -0.029779, 0.037001 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.004519 ], [ 0, 0, -0.004519 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.00195

null

pbe

true

c555a923b9fb3b9371863bcd659225e4_121_Li1Nb3Co4Sb4

[ "Cu", "Mg", "Pd", "Pu" ]

4

ABCD

CuMgPdPu

Pu1 Mg1 Cu1 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.80371568, 0, 0 ], [ 2.40185784, 4.16013981, 0 ], [ 2.40185784, 1.38671327, 3.92221743 ] ]

agm001916088

[ [ 0, 0, 0 ], [ 2.40185784, 1.38671327, 0.9805543575 ], [ 7.20557352, 4.16013981, 2.9416630725 ], [ 4.80371568, 2.77342654, 1.961108715 ] ]

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

[ "Mg", "Cu", "Pd", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.8683991, 0, 0 ], [ 0, -1.8683991, 0 ], [ 0, 0, -1.8683991 ] ]

-25.970626

[ 0.006, 0.024, -0.039, 5.198 ]

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

5.539044

13.0688

pbe

true

a5d679a4b66f0cda0b06e767204b2086_216_Pu1Mg1Cu1Pd1

[ "Mg", "Mn", "Tm" ]

3

ABC

MgMnTm

Mg1 Mn1 Tm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.319739717, 3.319739717 ], [ 3.319739717, 0, 3.319739717 ], [ 3.319739717, 3.319739717, 0 ] ]

oqmd-7357667

[ [ 1.65987, 1.65987, 1.6598699999999995 ], [ 0, 0, 0 ], [ 4.97961, 4.97961, 4.97961 ] ]

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

[ "Mg", "Mn", "Tm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 7.25397754, 0, 0 ], [ 0, 7.25397754, 0 ], [ 0, 0, 7.25397754 ] ]

-13.6506

[ -0.029, 3.249, -0.136 ]

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

3.027

null

pbe

false

2c76f0950e5bbd21a59b28319cd1e0f1_216_Tm1Mg1Mn1

[ "Er", "Hf", "Se" ]

7

A4B2C

Er2HfSe4

Er2 Hf1 Se4

3

[ 1, 1, 1 ]

3

[ [ 3.9796697, 0, 0 ], [ 0, 7.0495437, -0.03947845 ], [ -1.98983485, -3.47564977, 6.34091948 ] ]

agm003463199

[ [ 1.9898328402668013, 3.6439552140148295, 3.0246080913956175 ], [ 0.0000020097331987646352, -0.07006128401482929, 3.2768329386043824 ], [ 0, 0, 0 ], [ 1.98983286016515, -1.2204330432184898, 4.879245998802952 ], [ 0.0000019898348500170237, 4.7943269732184906, 1.4221950311970477 ], [ 1.9898348698983486, 1.125113079223919, 1.5414603264245 ], [ -1.9898348620306258e-8, 2.4487808507760818, 4.759980703575501 ] ]

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

[ "Er", "Er", "Hf", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 0.81970733, 0, 0 ], [ 0, 0.730761, -0.01072891 ], [ 0, -0.0107288, 0.7334077 ] ]

-44.00274

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

[ [ 0, 0.00129246, -0.00155432 ], [ 0, -0.00129246, 0.00155432 ], [ 0, 0, 0 ], [ 0, -0.00098248, 0.00040536 ], [ 0, 0.00098248, -0.00040536 ], [ 0, -0.00185967, 0.00346257 ], [ 0, 0.00185967, -0.00346257 ] ]

-0.000005

1.204457

pbe

true

c7374947f1d5556e3a94691ce3eb652a_12_Er2Hf1Se4

[ "Ge", "Pu", "Ru" ]

11

A4B4C3

Ge4Pu3Ru4

Pu3 Ge4 Ru4

3

[ 1, 1, 1 ]

3

[ [ 4.01791233, 0, -0.99946547 ], [ -0.82497846, 5.87237843, -3.31646419 ], [ -0.110681, 0.64579895, 8.13091412 ] ]

agm005698981

[ [ 0.40405416590960264, 0.9741088579541194, 1.624322176257042 ], [ 2.6781987040903976, 5.544068522045881, 2.1906622837429577 ], [ -0.41248923, 2.936189215, -1.658232095 ], [ 0.19862644106869862, 4.409489674809583, 0.7984898510303053 ], [ 2.8836264289313007, 2.1086877051904165, 3.016494608969694 ], [ 1.3404436889587372, 4.758619085025084, -3.187194038364309 ], [ 1.7418091810412624, 1.7595582949749167, 7.002178498364309 ], [ 1.1481196387843386, 1.087112141715873, 4.615519046758032 ], [ 2.286911526754582, 2.919911609745843, 0.6176558762560801 ], [ 1.934133231215661, 5.431065238284128, -0.8005345867580319 ], [ 0.7953413432454177, 3.5982657702541574, 3.19732858374392 ] ]

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

[ "Pu", "Pu", "Pu", "Ge", "Ge", "Ge", "Ge", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.2727272727272727, 0.36363636363636365 ]

[ [ 3.2554443, 0.00838863, -0.00630098 ], [ 0.00838863, 3.1906219, 0.03372243 ], [ -0.00630098, 0.03372243, 3.2316809 ] ]

-102.980609

[ 4.774, 4.774, 5.142, 0.013, 0.013, -0.029, -0.029, -0.388, -0.388, -0.388, -0.388 ]

[ [ 0.00054887, 0.00132323, 0.00220648 ], [ -0.00054887, -0.00132323, -0.00220648 ], [ 0, 0, 0 ], [ -0.00028778, -0.00069379, -0.0011569 ], [ 0.00028778, 0.00069379, 0.0011569 ], [ 0.0003492, -0.00248566, 0.00140379 ], [ -0.0003492, 0.00248566, -0.00140379 ], [ 0.00004403, -0.00127076, 0.00017699 ], [ 0.00024496, -0.00078633, 0.00098477 ], [ -0.00004403, 0.00127076, -0.00017699 ], [ -0.00024496, 0.00078633, -0.00098477 ] ]

13.721135

28.85823

pbe

true

3846933af77ba08f988c024a5f2d85c1_71_Pu3Ge4Ru4

[ "As", "Be", "Ti" ]

10

A2B2C

AsBe2Ti2

Ti4 Be4 As2

3

[ 1, 1, 1 ]

3

[ [ 5.93408666, 0, 0 ], [ 0, 5.93408666, 0 ], [ 0, 0, 3.61923945 ] ]

agm002961918

[ [ 2.2541687412478812, 5.221212071247881, 0 ], [ 5.221212071247881, 3.679917918752119, 0 ], [ 3.679917918752119, 0.712874588752119, 0 ], [ 0.712874588752119, 2.2541687412478812, 0 ], [ 0, 0, 0 ], [ 2.96704333, 2.96704333, 0 ], [ 1.0343692215238016, 4.001412551523802, 1.809619725 ], [ 4.001412551523802, 4.899717438476198, 1.809619725 ], [ 4.899717438476198, 1.9326741084761985, 1.809619725 ], [ 1.9326741084761985, 1.0343692215238016, 1.809619725 ] ]

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

[ "Be", "Be", "Be", "Be", "As", "As", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 2.7028408, 0, 0 ], [ 0, 2.7028408, 0 ], [ 0, 0, -3.927877 ] ]

-59.285627

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

[ [ 0.00231395, 0.00231395, 0 ], [ 0.00231395, -0.00231395, 0 ], [ -0.00231395, -0.00231395, 0 ], [ -0.00231395, 0.00231395, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.02610911, 0.02610911, 0 ], [ 0.02610911, -0.02610911, 0 ], [ -0.02610911, -0.02610911, 0 ], [ -0.02610911, 0.02610911, 0 ] ]

0

4.290546

pbe

true

ae31811f541d73653fda0f38b5da9194_127_Ti4Be4As2

[ "Li", "Pd", "Se" ]

9

A5B3C

LiPd3Se5

Li1 Pd3 Se5

3

[ 1, 1, 1 ]

3

[ [ 6.126485165, 0, 0 ], [ -3.063242583, 5.305691789, 0 ], [ 0, 0, 6.683837608 ] ]

oqmd-9228107

[ [ 0, 0, 0 ], [ 3.06324, 0, 3.3419200000000004 ], [ -1.5316236618115306, 2.65285, 3.3419200000000004 ], [ 1.5316200000000002, 2.65285, 3.3419200000000004 ], [ 3.06324, 1.76856, 1.58776 ], [ 2.6615423369342124e-16, 3.5371300000000003, 1.58776 ], [ 0, 0, 3.3419200000000004 ], [ 3.06324, 1.76856, 5.09608 ], [ 2.6615423369342124e-16, 3.5371300000000003, 5.09608 ] ]

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

[ "Li", "Pd", "Pd", "Pd", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.1111111111111111, 0.3333333333333333, 0.5555555555555556 ]

[ [ 4.79079235, 0, 0 ], [ 0, 4.79079235, 0 ], [ 0, 0, 3.71293585 ] ]

-36.7117

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.008945 ], [ 0, 0, 0.008945 ], [ 0, 0, 0 ], [ 0, 0, -0.008945 ], [ 0, 0, -0.008945 ] ]

null

pbe

true

0cbc8c2ee629ed4a6a2c58da2ecf939c_191_Li1Pd3Se5

[ "Bi", "Ho", "Te" ]

3

ABC

BiHoTe

Bi1 Ho1 Te1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.682155, 3.682155 ], [ 3.682155, 0, 3.682155 ], [ 3.682155, 3.682155, 0 ] ]

oqmd-3226307

[ [ 1.841079999999999, 1.841079999999999, 1.841079999999999 ], [ 5.523230000000001, 5.523230000000001, 5.523230000000001 ], [ 0, 0, 0 ] ]

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

[ "Bi", "Ho", "Te" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.2169, 0, 0 ], [ 0, 2.2169, 0 ], [ 0, 0, 2.2169 ] ]

-12.5806

[ 0, 0, 0 ]

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

-0.006819

null

pbe

true

f75c79ed4fa255a4320146a9faceeeef_216_Ho1Bi1Te1

[ "Na", "Pa", "Ti" ]

3

ABC

NaPaTi

Na1 Pa1 Ti1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.448003, 3.448003 ], [ 3.448003, 0, 3.448003 ], [ 3.448003, 3.448003, 0 ] ]

oqmd-3283298

[ [ 1.7240000000000009, 1.7240000000000009, 1.7240000000000009 ], [ 0, 0, 0 ], [ 5.172000000000003, 5.172000000000003, 5.172000000000003 ] ]

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

[ "Na", "Pa", "Ti" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 15.18042, 0, 0 ], [ 0, 15.18042, 0 ], [ 0, 0, 15.18042 ] ]

-13.4002

[ 0, 0, 0 ]

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

3.40513

null

pbe

false

bc0211859ae398364ee3ac96d5cf5169_216_Na1Pa1Ti1

[ "Cd", "Dy", "Ni", "Y" ]

7

A3B2CD

Cd3DyNi2Y

Cd3 Dy1 Ni2 Y1

4

[ 1, 1, 1 ]

3

[ [ 3.625432247, 0, 0 ], [ 0, 1.966730005, 10.262702586 ], [ 0, -1.966730005, 10.262702586 ] ]

oqmd-9751155

[ [ 0, 4.086050535059929e-21, 0.00216 ], [ 1.81272, -1.8562627943595566e-17, 8.66769 ], [ 1.81272, 3.390584243373628e-17, 11.8621 ], [ 0, 5.8278593612784964e-18, 3.55326 ], [ 1.81272, 4.6560524409537005e-17, 5.851850000000001 ], [ 1.81272, 5.874614420933396e-17, 14.643660000000002 ], [ 0, 6.134914533229159e-17, 16.99522 ] ]

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

[ "Cd", "Cd", "Cd", "Dy", "Ni", "Ni", "Y" ]

2024-11-01 00:00:00

[ 0.42857142857142855, 0.14285714285714285, 0.2857142857142857, 0.14285714285714285 ]

[ [ 18.59338745, 0, 0 ], [ 0, 14.12043457, 0 ], [ 0, 0, 10.89677655 ] ]

-27.4909

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

[ [ 0, 0, 0.002116 ], [ 0, 0, -0.01493 ], [ 0, 0, 0.020925 ], [ 0, 0, -0.018516 ], [ 0, 0, 0.035419 ], [ 0, 0, -0.020339 ], [ 0, 0, -0.004676 ] ]

0.006813

null

pbe

true

18e4a095ada70065673219d0f5645575_38_Dy1Y1Cd3Ni2

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

4

A2BC

AgB2Ir

Ag1 B2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.911317509, 2.911317509 ], [ 2.911317509, 0, 2.911317509 ], [ 2.911317509, 2.911317509, 0 ] ]

oqmd-5003476

[ [ 0, 0, 0 ], [ 2.91132, 2.91132, 2.911320000000003 ], [ 4.366979999999998, 4.366979999999998, 4.366979999999998 ], [ 1.4556600000000015, 1.4556600000000015, 1.4556600000000015 ] ]

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

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

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 6.68213961, 0, 0 ], [ 0, 6.68213961, 0 ], [ 0, 0, 6.68213961 ] ]

-18.6156

[ 0, 0, 0, 0 ]

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

-0.000171

null

pbe

true

8a7bbc22db786e7dad5607472bea4d9c_216_Ag1B2Ir1

[ "Be", "Li", "Ni", "Ta" ]

4

ABCD

BeLiNiTa

Be1 Li1 Ni1 Ta1

4

[ 1, 1, 1 ]

3

[ [ 0, 2.849707, 2.849707 ], [ 2.849707, 0, 2.849707 ], [ 2.849707, 2.849707, 0 ] ]

oqmd-2978072

[ [ 4.274560000000002, 4.274560000000002, 4.274560000000002 ], [ 1.424850000000002, 1.424850000000002, 1.424850000000002 ], [ 2.84971, 2.84971, 2.84971 ], [ 0, 0, 0 ] ]

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

[ "Be", "Li", "Ni", "Ta" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 11.05784, 0, 0 ], [ 0, 11.05784, 0 ], [ 0, 0, 11.05784 ] ]

-22.3195

[ 0, 0, 0, 0 ]

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

-0.004067

null

pbe

true

29afe74a634896afe5c9b9801a499beb_216_Li1Ta1Be1Ni1

[ "Cd", "Li", "Mn", "Pb" ]

4

ABCD

CdLiMnPb

Cd1 Li1 Mn1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.390167, 3.390167 ], [ 3.390167, 0, 3.390167 ], [ 3.390167, 3.390167, 0 ] ]

oqmd-2858287

[ [ 3.3901700000000026, 3.3901700000000026, 3.3901700000000026 ], [ 1.6950799999999968, 1.6950799999999968, 1.6950799999999968 ], [ 5.085249999999999, 5.085249999999999, 5.085249999999999 ], [ 0, 0, 0 ] ]

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

[ "Cd", "Li", "Mn", "Pb" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 11.18422, 0, 0 ], [ 0, 11.18422, 0 ], [ 0, 0, 11.18422 ] ]

-15.3799

[ 0, 0, 0, 0 ]

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

3.86997

null

pbe

false

6d90dafd197855781404219d4f97ecf8_216_Li1Mn1Cd1Pb1

[ "Cd", "P", "Si", "Tc" ]

8

A4B2CD

Cd2P4SiTc

Cd2 P4 Si1 Tc1

4

[ 1, 1, 1 ]

3

[ [ -2.861378027, 2.861378027, 5.365658045 ], [ 2.861378027, -2.861378027, 5.365658045 ], [ 2.861378027, 2.861378027, -5.365658045 ] ]

oqmd-9234209

[ [ -3.68147509286182e-17, 3.68147509286182e-17, 5.36566 ], [ 1.7405770760580206e-16, 2.86138, 2.6828299999999996 ], [ 1.7134300000000002, -1.4388000000000003, 4.01917 ], [ 1.4225800000000002, 1.1479499999999998, 1.3464900000000002 ], [ 1.4388, 1.7134300000000002, 6.712150000000003 ], [ 1.14795, 4.30018, -1.3464899999999995 ], [ 0, 0, 0 ], [ 2.8613800000000005, -4.7986897319229247e-17, 2.6828299999999996 ] ]

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

[ "Cd", "Cd", "P", "P", "P", "P", "Si", "Tc" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.125, 0.125 ]

[ [ 8.83534527, 2.5e-7, 0 ], [ 2.5e-7, 8.83534527, 0 ], [ 0, 0, 6.87225019 ] ]

-39.6109

[ 0, 0, 0, 0, 0, 0, 0, 0.011 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.032466, -0.033871, 0.003135 ], [ -0.033871, 0.032466, -0.003135 ], [ 0.033871, -0.032466, -0.003135 ], [ 0.032466, 0.033871, 0.003135 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.019997

null

pbe

true

75186863a0a4a959115baccdb326defe_82_Cd2Si1Tc1P4

[ "Cr", "Tl", "W", "Y" ]

4

ABCD

CrTlWY

Cr1 Tl1 W1 Y1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.364915, 3.364915 ], [ 3.364915, 0, 3.364915 ], [ 3.364915, 3.364915, 0 ] ]

oqmd-2571325

[ [ 5.047369999999999, 5.047369999999999, 5.047369999999999 ], [ 0, 0, 0 ], [ 3.3649200000000015, 3.3649200000000015, 3.3649200000000015 ], [ 1.6824600000000007, 1.6824600000000007, 1.6824600000000007 ] ]

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

[ "Cr", "Tl", "W", "Y" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 9.14657, 0, 0 ], [ 0, 9.14657, 0 ], [ 0, 0, 9.14657 ] ]

-28.48

[ 0, 0, 0, 0 ]

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

-0.039101

null

pbe

false

28b8efebae4f26a7704e9d1c0abf7774_216_Y1Tl1Cr1W1

[ "Dy", "Hg", "Rb", "Se" ]

12

A3BCD

DyHgRbSe3

Dy1 Hg1 Rb1 Se3

4

[ 1, 1, 1 ]

3

[ [ 7.756899, -2.123157, 0 ], [ 7.756899, 2.123157, 0 ], [ 0, 0, 11.065248 ] ]

oqmd-4600042

[ [ 0, 0, 0 ], [ 0, 0, 5.532619999999998 ], [ 7.074459999999997, 4.327026785770135e-17, 2.7663200000000048 ], [ 8.439339999999994, -7.24560378080648e-17, 8.298940000000002 ], [ 11.621569999999997, 5.639138041265774e-17, 2.7663200000000048 ], [ 3.892229999999994, 2.5445152099494465e-17, 8.298940000000002 ], [ 5.815680000000004, -3.076680959043455e-17, 0.4634200000000005 ], [ 1.06197, 9.32524642002334e-18, 2.7663200000000048 ], [ 5.815680000000004, -3.076680959043455e-17, 5.069199999999998 ], [ 9.698120000000005, -9.740500194557587e-17, 5.996050000000004 ], [ 14.45183, -2.149643909871231e-15, 8.298940000000002 ], [ 9.698120000000005, -9.740500194557587e-17, 10.60183 ] ]

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

[ "Dy", "Dy", "Hg", "Hg", "Rb", "Rb", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 5.75782, 0, 0 ], [ 0, 7.13965, 0 ], [ 0, 0, 6.58541 ] ]

-47.2166

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.013067, 0, 0 ], [ -0.013067, 0, 0 ], [ -0.03157, 0, 0 ], [ 0.03157, 0, 0 ], [ 0.007352, 0, 0.014351 ], [ -0.041896, 0, 0 ], [ 0.007352, 0, -0.014351 ], [ -0.007352, 0, 0.014351 ], [ 0.041896, 0, 0 ], [ -0.007352, 0, -0.014351 ] ]

-0.010934

null

pbe

true

4c50f5090f5f995e39e1f6d3481989ec_63_Rb2Dy2Hg2Se6