LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Cu", "Pd", "S", "Tl" ]

16

A4B2CD

CuPdS4Tl2

Tl4 Cu2 Pd2 S8

4

[ 1, 1, 1 ]

3

[ [ 5.6659015, 0, 0 ], [ 2.83295075, 6.92898676, 0 ], [ 2.83295075, 0, 9.45013185 ] ]

agm004769728

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

[ "Tl", "Tl", "Tl", "Tl", "Cu", "Cu", "Pd", "Pd", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.5, 0.25 ]

[ [ -0.73938864, 0, 0 ], [ 0, -1.1324497, 0 ], [ 0, 0, -0.88743013 ] ]

-62.32178

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

[ [ 0, 0, -0.00334409 ], [ 0, 0, 0.00334409 ], [ 0, 0, 0.00334409 ], [ 0, 0, -0.00334409 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0002966, -0.00432125, 0.00187185 ], [ 0.0002966, 0.00432125, -0.00187185 ], [ -0.0002966, -0.00432125, -0.00187185 ], [ -0.0002966, 0.00432125, 0.00187185 ], [ -0.0002966, 0.00432125, -0.00187185 ], [ -0.0002966, -0.00432125, 0.00187185 ], [ 0.0002966, 0.00432125, 0.00187185 ], [ 0.0002966, -0.00432125, -0.00187185 ] ]

0.000088

13.835242

pbe

true

34d124bf6e539f2ecf4944ff4ed3e68a_70_Tl4Cu2Pd2S8

[ "Er", "Ho", "Nd", "Sm" ]

12

A6B3C2D

Er2Ho6Nd3Sm

Nd3 Sm1 Ho6 Er2

4

[ 1, 1, 1 ]

3

[ [ 6.18472572, 0.00051947, 0.00350869 ], [ -3.09040759, 5.35725801, 0.00350869 ], [ -1.03441841, -1.79108398, 11.60834065 ] ]

agm004656925

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

[ "Nd", "Nd", "Nd", "Sm", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.25, 0.08333333333333333 ]

[ [ 1.092029, -0.00312412, -0.00143703 ], [ -0.00312412, 1.0884238, -0.0024882 ], [ -0.0014371, -0.00248832, 1.0541245 ] ]

-55.391617

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

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-0.000034

15.29347

pbe

true

a0bce3147fed97a47d3cb33bbe571168_12_Nd3Sm1Ho6Er2

[ "O", "Rh", "Te", "Tm" ]

18

A6BCD

O6RhTeTm

Tm2 Te2 Rh2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.42149213, 0, 0 ], [ -2.71074607, 4.69514991, 0 ], [ 0, 0, 8.54548515 ] ]

agm005078363

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

[ "Tm", "Tm", "Te", "Te", "Rh", "Rh", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]

[ [ 1.1729373, 0, 0 ], [ 0, 1.1729373, 0 ], [ 0, 0, 0.9895785 ] ]

-115.926167

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00068132, 0.00393886, -0.00096121 ], [ 0.00375182, -0.00137939, -0.00096121 ], [ -0.0030705, 0.00255947, -0.00096121 ], [ -0.00375182, 0.00137939, 0.00096121 ], [ -0.00375182, -0.00137939, 0.00096121 ], [ 0.00068132, 0.00393886, 0.00096121 ], [ 0.0030705, 0.00255947, 0.00096121 ], [ 0.0030705, -0.00255947, 0.00096121 ], [ -0.00068132, -0.00393886, -0.00096121 ], [ -0.0030705, -0.00255947, -0.00096121 ], [ 0.00375182, 0.00137939, -0.00096121 ], [ 0.00068132, -0.00393886, 0.00096121 ] ]

0

-0.096808

pbe

true

07f13ced37a62fa83949389e256cd50c_163_Tm2Te2Rh2O12

[ "Cu", "Hg", "Mg", "S", "Sn" ]

9

A4B2CDE

Cu2HgMgS4Sn

Cu2 Hg1 Mg1 S4 Sn1

5

[ 1, 1, 1 ]

3

[ [ 5.70690697, 0.11855562, 0.00011825 ], [ 0.11855562, 5.70690697, 0.00011825 ], [ -2.91258001, -2.91258001, 6.32199781 ] ]

mp-2222784

[ [ 0.0015903579051153027, 0.0015903579051153027, 3.1540786650338846 ], [ 0.061958171824155084, 2.8552848644870634, 3.169241858074079 ], [ 2.8552848644870634, 0.061958171824155084, 3.169241858074079 ], [ 2.9128386511742472, 2.9128386511742472, 0.053378921054135 ], [ 2.9122616565361774, 2.9122616565361774, 6.3118056382553345 ], [ 1.397732799545133, 1.397732799545133, 1.798936536752519 ], [ 4.430782827652708, 4.430782827652708, 1.801804544535552 ], [ -1.4687985978156617, 1.4722400124490949, 4.408005145370858 ], [ 1.4722400124490949, -1.4687985978156617, 4.408005145370858 ] ]

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

[ "Mg", "Cu", "Cu", "Sn", "Hg", "S", "S", "S", "S" ]

2022-05-19 21:03:11

[ 0.2222222222222222, 0.1111111111111111, 0.1111111111111111, 0.4444444444444444, 0.1111111111111111 ]

[ [ -1.03128425, 0.95981795, 0.00651581 ], [ 0.95981795, -1.03128425, 0.00651581 ], [ 0.00651557, 0.00651557, -0.23447987 ] ]

-33.596846

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

[ [ 0.00454885, 0.00454885, 0.03636824 ], [ -0.00283012, -0.00103018, -0.03925072 ], [ -0.00103018, -0.00283012, -0.03925072 ], [ 0.00664725, 0.00664725, 0.04210021 ], [ -0.00098147, -0.00098147, -0.02289582 ], [ 0.01949415, 0.01949415, 0.0301385 ], [ -0.02867259, -0.02867259, 0.01870775 ], [ 0.00882392, -0.00599982, -0.01295871 ], [ -0.00599982, 0.00882392, -0.01295871 ] ]

0

3.739601

pbe

true

e2d0a342f9dc52140f6347802cf65db7_42_Mg1Cu2Sn1Hg1S4

[ "Ga", "La", "O", "Sc" ]

80

A12B3C3D2

Ga3La3O12Sc2

Ga12 La12 O48 Sc8

4

[ 1, 1, 1 ]

3

[ [ -6.4904441, -6.4904441, 6.4904441 ], [ -6.4904441, 6.4904441, -6.4904441 ], [ 6.4904441, -6.4904441, -6.4904441 ] ]

mp-1211869

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

[ "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "La", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 14:09:27

[ 0.15, 0.15, 0.6, 0.1 ]

[ [ -0.90027632, 0, 0 ], [ 0, -0.90027632, 0 ], [ 0, 0, -0.90027632 ] ]

-621.14704

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0

3.764299

pbe

true

d047e853281db768c56fc76df719ef56_230_La12Sc8Ga12O48

[ "Co", "Zn", "Zr" ]

4

A2BC

Co2ZnZr

Co2 Zn1 Zr1

3

[ 1, 1, 1 ]

3

[ [ -7.95969233, 2e-8, -4.59553098 ], [ -8.7790184, 0.00024955, 6.01464523 ], [ -5.57968819, 9.04932278, 0.47324185 ] ]

mp-1097323

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

[ "Zr", "Zn", "Co", "Co" ]

2018-05-26 19:55:18

[ 0.5, 0.25, 0.25 ]

[ [ -0.33543681, -0.00279573, -0.04974059 ], [ -0.00279573, -0.25323738, 0.00484236 ], [ -0.04974059, 0.00484236, -0.27800139 ] ]

-14.616872

[ 0.477, 0.01, -0.809, -0.809 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.03783163, 0, 0.0218421 ], [ -0.03783163, 0, -0.0218421 ] ]

-1.131

-3.264276

pbe

true

cbaac7c5f97a298512ab456bebd2f07f_71_Zr1Zn1Co2

[ "H", "K", "Mn", "O", "P" ]

32

A10B3CDE

HKMnO10P3

H2 K2 Mn2 O20 P6

5

[ 1, 1, 1 ]

3

[ [ 7.30274161, 0.01503385, 0.017387 ], [ 2.4765183, 7.00245367, 0.04901493 ], [ 2.64147066, 2.16667331, 8.6744002 ] ]

mp-762493

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[ "K", "K", "Mn", "Mn", "P", "P", "P", "P", "P", "P", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-04-29 23:21:17

[ 0.0625, 0.0625, 0.0625, 0.625, 0.1875 ]

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-220.745467

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7.752

0.394951

pbe

true

8cbfdc8d954647910f86295498915bc7_2_K2Mn2P6H2O20

[ "Ac", "Ho", "Pr" ]

4

A2BC

AcHo2Pr

Ac1 Pr1 Ho2

3

[ 1, 1, 1 ]

3

[ [ 3.76457896, 0, 0 ], [ 0, 3.76457896, 0 ], [ 0, 0, 9.99385143 ] ]

agm001161822

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

[ "Pr", "Ac", "Ho", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.0749253, 0, 0 ], [ 0, 1.0749253, 0 ], [ 0, 0, 1.0266385 ] ]

-17.850541

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00462294 ], [ 0, 0, -0.00462294 ] ]

0.000011

6.539601

pbe

true

e4e6ab03a55b5be64f3ce93451d52d41_123_Ac1Pr1Ho2

[ "Er", "S" ]

5

A3B2

Er2S3

Er2 S3

2

[ 1, 1, 1 ]

3

[ [ 17.18649008, 0, 0 ], [ -8.59324504, 14.88393701, 0 ], [ 0, 0, 7.18517736 ] ]

agm1000000248

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

[ "Er", "Er", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ -0.03686223, -0.0166046, 0 ], [ -0.0166046, -0.0209082, 0 ], [ 0, 0, -0.01796018 ] ]

-24.994576

[ -0.001, 0.002, 0.001, 0.001, 0.039 ]

[ [ 0.0008352, 0.00188796, 0 ], [ 0.00321227, 0.00129338, 0 ], [ 0.0006914, -0.00055501, -0.00079151 ], [ 0.0006914, -0.00055501, 0.00079151 ], [ -0.00543027, -0.00207132, 0 ] ]

0.081073

-0.001067

pbe

true

e5a3250de55fe02bf35444cfa996fade_6_Er2S3

[ "Ho", "Lu" ]

4

A3B

HoLu3

Ho1 Lu3

2

[ 1, 1, 1 ]

3

[ [ 5.54123099, 0, 0 ], [ 2.7706155, 4.79884681, 0 ], [ 2.7706155, 1.5996156, 4.52439616 ] ]

agm001416625

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

[ "Lu", "Lu", "Lu", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 3.371368, 0, 0 ], [ 0, 3.371368, 0 ], [ 0, 0, 3.371368 ] ]

-17.602327

[ 0, 0, 0, 0 ]

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

-0.000972

9.354652

pbe

true

4d4cbf623a016314bc7d29f5966c7f76_225_Ho1Lu3

[ "Al", "Au", "Hf" ]

4

A2BC

Al2AuHf

Hf1 Al2 Au1

3

[ 1, 1, 1 ]

3

[ [ 4.27675281, 0, 0 ], [ 2.1383764, 3.70377658, 0 ], [ 2.1383764, 1.23459219, 4.61268352 ] ]

agm001992924

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

[ "Hf", "Au", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.1185634, 0, 0 ], [ 0, 3.1185634, 0 ], [ 0, 0, 3.1614654 ] ]

-21.703691

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01006667 ], [ 0, 0, 0.01006667 ] ]

-0.00001

2.843695

pbe

true

77d79e61728f498a1d2c00b4a5043997_166_Hf1Al2Au1

[ "Li", "O", "Pt", "Zn" ]

11

A6B2C2D

Li2O6Pt2Zn

Li2 Zn1 Pt2 O6

4

[ 1, 1, 1 ]

3

[ [ 5.41397935, -0.06668248, 0.06123051 ], [ -2.73386622, 4.67349916, 0.06123051 ], [ -0.95398994, -1.6398027, 4.83187615 ] ]

agm004580585

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

[ "Li", "Li", "Zn", "Pt", "Pt", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.5454545454545454, 0.18181818181818182, 0.09090909090909091 ]

[ [ 0.6924394, 0.02002938, -0.00480478 ], [ 0.02002938, 0.71521515, -0.00825889 ], [ -0.00480477, -0.00825886, 0.999704 ] ]

-58.994967

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

[ [ -0.00318906, 0.0018553, 0 ], [ 0.00318906, -0.0018553, 0 ], [ 0, 0, 0 ], [ 0.00179599, -0.00104486, 0 ], [ -0.00179599, 0.00104486, 0 ], [ -0.00080354, -0.0013812, -0.00422045 ], [ -0.00051865, 0.00001206, 0.00006754 ], [ 0.00080354, 0.0013812, 0.00422045 ], [ 0.00026683, -0.00044491, 0.00006754 ], [ 0.00051865, -0.00001206, -0.00006754 ], [ -0.00026683, 0.00044491, -0.00006754 ] ]

0

pbe

true

73807ef14ea9a3ef17308ef7d70291a3_12_Li2Zn1Pt2O6

[ "Cl", "Hf", "Tc" ]

5

A3BC

ClHfTc3

Hf1 Tc3 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.01905065, 0, 0 ], [ 0, 5.01905065, 0 ], [ 0, 0, 5.01905065 ] ]

agm002450589

[ [ 0, 0, 0 ], [ 0, 2.509525325, 0 ], [ 0, 0, 2.509525325 ], [ 2.509525325, 0, 0 ], [ 2.509525325, 2.509525325, 2.509525325 ] ]

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

[ "Hf", "Tc", "Tc", "Tc", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.49173626, 0, 0 ], [ 0, 0.49173626, 0 ], [ 0, 0, 0.49173626 ] ]

-32.654784

[ -0.338, 2.456, 2.229, 2.593, 0.201 ]

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

8.121882

4.220339

pbe

true

513829384d1f0980faac28f960027f1d_221_Hf1Tc3Cl1

[ "Cl", "La", "Zn" ]

4

A2BC

Cl2LaZn

La1 Zn1 Cl2

3

[ 1, 1, 1 ]

3

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agm003915755

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[ "Zn", "Cl", "Cl", "La" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-14.97962

[ 0, 0, 0, 0 ]

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0.000021

2.030457

pbe

true

824b0197ca8320f5dc263ced2505561a_8_La1Zn1Cl2

[ "Cs", "Hf", "Ru" ]

10

A2B2C

Cs2Hf2Ru

Cs4 Hf4 Ru2

3

[ 1, 1, 1 ]

3

[ [ 9.25365405, 0, 0 ], [ 0, 9.25365405, 0 ], [ 0, 0, 3.24848254 ] ]

agm003011150

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[ "Cs", "Cs", "Cs", "Cs", "Ru", "Ru", "Hf", "Hf", "Hf", "Hf" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 2.8566952, 0, 0 ], [ 0, 2.8566952, 0 ], [ 0, 0, 1.2686987 ] ]

-38.518257

[ -0.007, -0.009, -0.007, -0.009, 1.491, 1.491, -0.127, -0.122, -0.127, -0.122 ]

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2.095599

14.350072

pbe

true

27065310a9fa8e52ff652cbeb29f2d07_127_Cs4Hf4Ru2

[ "Cu", "Er", "Ga" ]

12

A7B3C2

Cu7Er3Ga2

Er3 Ga2 Cu7

3

[ 1, 1, 1 ]

3

[ [ 3.92532522, 0, 0 ], [ 0, 3.92532522, 0 ], [ -1.96266261, -1.96266261, 13.42721076 ] ]

agm003351840

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

[ "Er", "Er", "Er", "Ga", "Ga", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.5833333333333334, 0.25, 0.16666666666666666 ]

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-50.349289

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0.000001

5.28022

pbe

true

730e34e7b9312ee6cd7cfc70fe0823d9_139_Er3Ga2Cu7

[ "Dy", "Mg", "O" ]

4

A2BC

DyMgO2

Dy1 Mg1 O2

3

[ 1, 1, 1 ]

3

[ [ 3.16027434, 0, 0 ], [ 1.58013717, 2.73687786, 0 ], [ 1.58013717, 0.91229262, 5.53771747 ] ]

agm001929190

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[ "Mg", "O", "O", "Dy" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.20999981, 0, 0 ], [ 0, 0.20999981, 0 ], [ 0, 0, 0.1451419 ] ]

-26.522846

[ 0, 0, 0, 0 ]

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0.000201

1.511781

pbe

true

623a889188c7bd8f4959b5d6330a62b0_166_Dy1Mg1O2

[ "Er", "Tb", "Tl" ]

80

A12B5C3

Er3Tb12Tl5

Tb48 Er12 Tl20

3

[ 1, 1, 1 ]

3

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agm001168282

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

[ "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Er", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb" ]

2023-11-16 06:57:59

[ 0.15, 0.6, 0.25 ]

[ [ 0.9300494, 0, 0 ], [ 0, 0.9300494, 0 ], [ 0, 0, 0.9300494 ] ]

-282.665397

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0.020401

156.01022

pbe

true

05d6fde78b1f3d62e2f4d52e03049c58_230_Tb48Er12Tl20

[ "Fe", "In", "Mo" ]

4

A2BC

FeInMo2

In1 Fe1 Mo2

3

[ 1, 1, 1 ]

3

[ [ 2.8068911, 0.02878754, 0 ], [ -0.03082243, 2.8068695, 0 ], [ 0, 0, 7.91716873 ] ]

agm003824732

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

[ "Fe", "In", "Mo", "Mo" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 4.4786434, 0.22907963, 0 ], [ 0.22907963, 4.488374, 0 ], [ 0, 0, 4.513751 ] ]

-31.833093

[ 0.161, 0, -0.025, -0.025 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00156391 ], [ 0, 0, 0.00156391 ] ]

0.104069

1.35221

pbe

true

bbc9ee0b896ae58f3bed5d41730daa2e_123_In1Fe1Mo2

[ "Ge", "Pd", "Zn" ]

14

A5BC

GePd5Zn

Zn2 Ge2 Pd10

3

[ 1, 1, 1 ]

3

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agm003758117

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2023-11-16 06:57:59

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A5B2C

In2Pd5Y

Y1 In2 Pd5

3

[ 1, 1, 1 ]

3

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agm005962401

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2023-11-16 06:57:59

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A6B5C2

K5N6Re2

K10 Re4 N12

3

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3

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agm005673743

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2023-11-16 06:57:59

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6

A4BC

Rh4RuZr

Zr1 Ru1 Rh4

3

[ 1, 1, 1 ]

3

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agm005431170

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[ "Zr", "Ru", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

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10

A5B4C

Sm4TbZn5

Tb1 Sm4 Zn5

3

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3

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agm003645695

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[ "Tb", "Sm", "Sm", "Sm", "Sm", "Zn", "Zn", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

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0.00011

12.007466

pbe

true

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[ "Ac", "Er", "Nd", "Sm" ]

8

A4B2CD

AcEr2Nd4Sm

Ac1 Nd4 Sm1 Er2

4

[ 1, 1, 1 ]

3

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agm004771522

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[ "Ac", "Nd", "Nd", "Nd", "Nd", "Sm", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.5, 0.125 ]

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-36.755234

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12.532549

pbe

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[ "Ag", "Cs", "O", "Pu" ]

8

A4B2CD

AgCs2O4Pu

Cs2 Pu1 Ag1 O4

4

[ 1, 1, 1 ]

3

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agm004811674

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[ "Cs", "Cs", "Pu", "Ag", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.5, 0.125 ]

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-52.215894

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3

5.672865

pbe

true

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[ "Be", "Cd", "Nd", "Pd" ]

20

A5B2C2D

Be2CdNd2Pd5

Nd4 Be4 Cd2 Pd10

4

[ 1, 1, 1 ]

3

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agm005136891

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2023-11-16 06:57:59

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0

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true

3c1a0769e8fc8fb97748fdc1f3bbfdb6_127_Nd4Be4Cd2Pd10

[ "Be", "Co", "Li", "Si" ]

4

ABCD

BeCoLiSi

Li1 Be1 Co1 Si1

4

[ 1, 1, 1 ]

3

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agm001306700

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[ "Be", "Si", "Co", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

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-19.319776

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2.495651

pbe

true

8b60ed0dfb6c991f6c2822a067d784e8_216_Li1Be1Co1Si1

[ "H", "Mg", "Nb" ]

80

A12B5C3

H12Mg5Nb3

Mg20 Nb12 H48

3

[ 1, 1, 1 ]

3

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agm001819895

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

[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.6, 0.25, 0.15 ]

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-315.469755

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0.000151

27.028614

pbe

true

5a46af16d94247dcf583dd1ac99a19d1_230_Mg20Nb12H48

[ "Cl", "Ni", "Pt", "Sm" ]

12

A6B3C2D

Cl3Ni2PtSm6

Sm6 Ni2 Pt1 Cl3

4

[ 1, 1, 1 ]

3

[ [ 7.01967155, -0.00869434, 0.006219 ], [ -3.51565797, 6.07585494, 0.006219 ], [ -1.16212496, -2.01220646, 7.37614072 ] ]

agm004598195

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

[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Ni", "Ni", "Pt", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.16666666666666666, 0.08333333333333333, 0.5 ]

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-64.152156

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-0.000001

8.602635

pbe

true

db52249d816a44ea659e7e64ade74c9a_12_Sm6Ni2Pt1Cl3

[ "Co", "Er", "F", "Na" ]

18

A6BCD

CoErF6Na

Na2 Er2 Co2 F12

4

[ 1, 1, 1 ]

3

[ [ 5.62406219, 0, 0 ], [ -2.8120311, 4.87058073, 0 ], [ 0, 0, 9.64970411 ] ]

agm005072144

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

[ "Na", "Na", "Er", "Er", "Co", "Co", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.1111111111111111, 0.6666666666666666, 0.1111111111111111 ]

[ [ 2.6359613, 0, 0 ], [ 0, 2.6359613, 0 ], [ 0, 0, 3.4106805 ] ]

-100.89103

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5.999998

0

pbe

true

31a6dfd4eca3041378bce29fb4b632bc_163_Na2Er2Co2F12

[ "Cu", "Er", "Gd", "Sn" ]

4

ABCD

CuErGdSn

Gd1 Er1 Cu1 Sn1

4

[ 1, 1, 1 ]

3

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agm001332832

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

[ "Gd", "Sn", "Cu", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.7543246, 0, 0 ], [ 0, -1.7543246, 0 ], [ 0, 0, -1.7543246 ] ]

-28.493799

[ 7.212, -0.052, 0.022, 0.233 ]

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7.749833

3.260989

pbe

true

8dcb972297725a1c1d49911b56484162_216_Gd1Er1Cu1Sn1

[ "Cu", "S", "Sm", "Tl" ]

16

A4B2CD

CuS4Sm2Tl

Sm4 Tl2 Cu2 S8

4

[ 1, 1, 1 ]

3

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agm004778534

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

[ "Sm", "Sm", "Sm", "Sm", "Tl", "Tl", "Cu", "Cu", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.25, 0.125 ]

[ [ -0.80235213, 0, 0 ], [ 0, -0.7975801, 0 ], [ 0, 0, -0.63896763 ] ]

-87.804474

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

[ [ 0, -0.00113746, -0.00191332 ], [ 0, 0.00113746, -0.00191332 ], [ 0, 0.00113746, 0.00191332 ], [ 0, -0.00113746, 0.00191332 ], [ 0, -0.00086621, 0 ], [ 0, 0.00086621, 0 ], [ 0, -0.01584539, 0 ], [ 0, 0.01584539, 0 ], [ 0, -0.00086266, -0.00116455 ], [ 0, 0.00086266, -0.00116455 ], [ 0, 0.00086266, 0.00116455 ], [ 0, -0.00086266, 0.00116455 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00143087, 0 ], [ 0, -0.00143087, 0 ] ]

0

-0.01952

pbe

true

c4aef2c142f9cd83c1f6f21792abd166_63_Sm4Tl2Cu2S8

[ "Au", "Te" ]

4

A3B

Au3Te

Te1 Au3

2

[ 1, 1, 1 ]

3

[ [ 4.07205043, 0, 0 ], [ 0, 3.91259355, 0 ], [ 0, 0, 5.41391026 ] ]

agm001830209

[ [ 0, 0, 0.0220501526806462 ], [ 0, 1.956296775, 2.366844516932179 ], [ 2.036025215, 0, 2.205899088914565 ], [ 2.036025215, 1.956296775, 4.42774214354483 ] ]

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

[ "Te", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 1.3534147, 0, 0 ], [ 0, 3.5404925, 0 ], [ 0, 0, 1.1232466 ] ]

-12.371646

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.0006616 ], [ 0, 0, 0.00646288 ], [ 0, 0, -0.00293705 ], [ 0, 0, -0.00286424 ] ]

0

2.37191

pbe

true

01d1dd6d74cc51fc3f429a6c1f9a4629_25_Te1Au3

[ "In", "Sn" ]

11

A6B5

In5Sn6

In5 Sn6

2

[ 1, 1, 1 ]

3

[ [ 8.95145965, -0.00000257, 0 ], [ -4.47571275, 7.75219591, 0 ], [ 0, 0, 18.27498724 ] ]

agm2000118670

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[{"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"]}]

[ "In", "In", "In", "In", "In", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.45454545454545453, 0.5454545454545454 ]

[ [ 1.0631152, 0.00000204, 0 ], [ 0.00000204, 1.0631161, 0 ], [ 0, 0, -0.13901329 ] ]

-33.847201

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

[ [ 0.00350969, 0, -0.00228938 ], [ -0.00175484, 0.00303948, -0.00228938 ], [ -0.00175485, -0.00303948, -0.00228938 ], [ 0, 0, 0.00500602 ], [ 0, 0, 0.00500602 ], [ 0.00026845, -0.00594499, -0.00052398 ], [ 0.00501428, 0.00320499, -0.00052398 ], [ -0.00528273, 0.00274, -0.00052398 ], [ -0.00528274, -0.00274, -0.00052398 ], [ 0.00026847, 0.00594499, -0.00052398 ], [ 0.00501427, -0.00320499, -0.00052398 ] ]

-0

7.328234

pbe

true

c791987d92727c12da2421889ea1241a_157_In5Sn6

[ "Rh", "Sr" ]

4

A3B

Rh3Sr

Sr1 Rh3

2

[ 1, 1, 1 ]

3

[ [ 4.43891732, 0.00003129, -0.00167306 ], [ 2.21948575, 3.84419788, -0.00163349 ], [ 2.22358019, 1.28373401, 5.25501995 ] ]

agm002357904

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

[ "Sr", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 8.267515, -0.0603815, -0.0340005 ], [ -0.0603812, 8.337674, -0.0196489 ], [ -0.03400056, -0.01964903, 7.3399615 ] ]

-23.811117

[ -0.015, 0.556, 0.501, 0.501 ]

[ [ 0.00000706, 0.00000566, 0.00002868 ], [ 0.00002302, -0.00000502, 0.00006615 ], [ -0.00048164, -0.00025544, -0.00845726 ], [ 0.00045155, 0.00025481, 0.00836243 ] ]

1.527521

4.657946

pbe

true

182d487520fd884e2ad1a07ccb028dcc_166_Sr1Rh3

[ "Ti", "U" ]

4

A3B

Ti3U

U1 Ti3

2

[ 1, 1, 1 ]

3

[ [ 4.19379214, 0, 0 ], [ 0, 4.19379214, 0 ], [ 0, 0, 4.19379214 ] ]

agm001190277

[ [ 0, 0, 0 ], [ 0, 2.09689607, 2.09689607 ], [ 2.09689607, 0, 2.09689607 ], [ 2.09689607, 2.09689607, 0 ] ]

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

[ "U", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 5.431248, 0, 0 ], [ 0, 5.431248, 0 ], [ 0, 0, 5.431248 ] ]

-34.00228

[ 2.027, 0.265, 0.265, 0.265 ]

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

3.126396

9.569104

pbe

true

f4705be9ea75d39f314e30240a81bd43_221_U1Ti3

[ "Ag", "Br", "I" ]

8

A2BC

AgBrI2

Ag2 I4 Br2

3

[ 1, 1, 1 ]

3

[ [ 23.42486695, 4.69570242, 0 ], [ 2.29033079, 3.75044226, 0 ], [ 0, 0, 15.8060718 ] ]

agm2000085587

[ [ 1.6633958020924904, 1.7056560476360687, 7.937808783777847 ], [ 14.52099467209249, 5.928728387636069, 7.937808783777847 ], [ 4.273139598544394, 2.2873911715547854, 7.498878753652668 ], [ 18.722290642083657, 4.153105222106332, 7.87050542362842 ], [ 17.130738748599676, 6.510463633520654, 7.498878753652668 ], [ 8.155022139392935, 3.6804751232011284, 7.87050542362842 ], [ 22.678464023298496, 5.604924511208157, 8.304950638941067 ], [ 12.111195966201805, 5.13229446871258, 8.304950638941067 ] ]

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

[ "Ag", "Ag", "I", "I", "I", "I", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.22666702, -0.00548118, -0.00184608 ], [ -0.0054811, 0.2482433, -0.00464183 ], [ -0.00184607, -0.00464178, -0.02138261 ] ]

-16.112534

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

[ [ 0.00197353, 0.00039121, -0.00002003 ], [ 0.00197353, 0.00039121, -0.00002003 ], [ -0.00083083, 0.00246074, -0.00228374 ], [ 0.00126925, -0.00031775, 0.00143387 ], [ -0.00083083, 0.00246074, -0.00228374 ], [ 0.00126925, -0.00031775, 0.00143387 ], [ -0.00241195, -0.0025342, 0.0008699 ], [ -0.00241195, -0.0025342, 0.0008699 ] ]

0

-0.017138

pbe

true

4646ce2c05b6d491659d851623e24dee_1_Ag2I4Br2

[ "Ag", "F", "Nb" ]

8

A6BC

AgF6Nb

Nb1 Ag1 F6

3

[ 1, 1, 1 ]

3

[ [ 5.10663085, 0.17685929, -0.12329082 ], [ 0.56000111, 5.07891293, -0.12329082 ], [ 1.45974372, 1.35390485, 5.01075374 ] ]

agm003764136

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

[ "Nb", "Ag", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 7.6730843, 4.382334, 0.6982258 ], [ 4.382334, 7.0127625, 0.6476008 ], [ 0.6982258, 0.6476009, 4.4106274 ] ]

-44.63048

[ 0, 0.052, 0.002, 0.002, 0.002, 0.002, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00022535, 0.00072566, 0.0028514 ], [ 0.00074054, 0.00017019, 0.0028514 ], [ -0.00074054, -0.00017019, -0.0028514 ], [ -0.00022535, -0.00072566, -0.0028514 ], [ 0.00904744, 0.00839146, -0.00621729 ], [ -0.00904744, -0.00839146, 0.00621729 ] ]

0.060848

0

pbe

true

1aa06beaeb3d033f8308029e86560f89_12_Nb1Ag1F6

[ "Ag", "Fe", "Li" ]

4

A2BC

Ag2FeLi

Li1 Fe1 Ag2

3

[ 1, 1, 1 ]

3

[ [ 4.6803981, 0, 0 ], [ 0, 2.75762497, -0.00395997 ], [ 0, 0.00596234, 4.81014877 ] ]

agm004235224

[ [ 0, 0.35003433315240773, 4.468655411555677 ], [ 2.34019905, 0.3461842606873301, 1.5573870029302823 ], [ 0, 1.7259834169575705, 2.066065035153872 ], [ 2.34019905, 1.7291413217789415, 3.927324520320568 ] ]

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

[ "Ag", "Ag", "Fe", "Li" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.5971065, 0.00001211, -0.00001273 ], [ 0.00001245, 6.35472, 0.07908942 ], [ -0.00001253, 0.07908902, 5.9763193 ] ]

-15.520603

[ 0.021, 0.021, 2.915, -0.012 ]

[ [ 5.9e-7, -0.00043926, 0.00240459 ], [ 7.2e-7, 0.00017649, -0.00344822 ], [ -0.0000021, 0.00420289, -0.0011086 ], [ 7.8e-7, -0.00394012, 0.00215223 ] ]

2.921096

2.913854

pbe

true

7a4573933b3e38a093b6e3e0e70368a6_25_Li1Fe1Ag2

[ "Ag", "K", "Rb" ]

12

A8B3C

Ag8K3Rb

K3 Rb1 Ag8

3

[ 1, 1, 1 ]

3

[ [ 5.95957312, 0, 0 ], [ 2.97978656, 5.16114171, 0 ], [ 2.97978656, 1.72038057, 9.88376464 ] ]

agm003585816

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

[ "K", "K", "K", "Rb", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.25, 0.08333333333333333 ]

[ [ 4.267087, 0, 0 ], [ 0, 4.267087, 0 ], [ 0, 0, 4.321716 ] ]

-26.754227

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

[ [ 0, 0, 0.00254883 ], [ 0, 0, -0.00294019 ], [ 0, 0, 0.00519816 ], [ 0, 0, -0.0002174 ], [ 0.00158102, -0.0009128, -0.00394412 ], [ 0.00043611, -0.00025179, 0.00234136 ], [ -0.00158102, -0.0009128, -0.00394412 ], [ -0.00043611, -0.00025179, 0.00234136 ], [ 0, 0, 0.00252062 ], [ 0, 0, -0.00230176 ], [ 0, 0.00182561, -0.00394412 ], [ 0, 0.00050357, 0.00234136 ] ]

0

1.894514

pbe

true

8487e3fe69ba195ba2a89845f3c2491e_160_K3Rb1Ag8

[ "Al", "Cr", "Zn" ]

4

A2BC

AlCrZn2

Al1 Zn2 Cr1

3

[ 1, 1, 1 ]

3

[ [ 4.36687772, 0, 0 ], [ 2.18343886, 3.78182704, 0 ], [ 2.18343886, 1.26060902, 3.56554073 ] ]

agm002134628

[ [ 4.36687772, 2.52121803, 1.782770365 ], [ 2.18343886, 1.260609015, 0.8913851825 ], [ 6.55031658, 3.781827045, 2.6741555475 ], [ 0, 0, 0 ] ]

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

[ "Cr", "Zn", "Zn", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.5274848, 0, 0 ], [ 0, 1.5274848, 0 ], [ 0, 0, 1.5274848 ] ]

-15.487361

[ 3.201, -0.025, -0.025, -0.044 ]

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

3.329089

1.631281

pbe

true

1eeb1c988ce86665de02a66be0567dcf_225_Al1Zn2Cr1

[ "As", "In", "Pb" ]

11

A4B4C3

As4In4Pb3

In4 As4 Pb3

3

[ 1, 1, 1 ]

3

[ [ 8.91209563, 0, 0 ], [ -1.5e-7, 6.38971749, 0 ], [ 0, 0, 19.86221902 ] ]

agm2000075470

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

[ "In", "In", "In", "In", "As", "As", "As", "As", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.36363636363636365, 0.2727272727272727 ]

[ [ 0.94764334, -2e-8, 0 ], [ -2e-8, 0.91221935, 0.0113235 ], [ 0, 0.01132342, -0.13421004 ] ]

-38.564916

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Li1 As1 P2

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2023-11-16 06:57:59

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As4Ni5Pr2

Pr2 Ni5 As4

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2023-11-16 06:57:59

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967885a0adca5237667f836849fee28f_69_Pr2Ni5As4

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Au5Cu3Sb12

Cu12 Sb48 Au20

3

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2023-11-16 06:57:59

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55.55182

pbe

true

185dba3793f09940975c6aff99a00866_230_Cu12Sb48Au20

[ "Ho", "Ru", "U" ]

7

A3B2C2

Ho2Ru3U2

Ho2 U2 Ru3

3

[ 1, 1, 1 ]

3

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agm005552318

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[ "Ho", "Ho", "U", "U", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

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10.330976

pbe

true

8530af1c31cddc50fdadae61d43fc0bd_12_Ho2U2Ru3

[ "I", "Rb", "Sc" ]

8

A2BC

I2RbSc

Rb2 Sc2 I4

3

[ 1, 1, 1 ]

3

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[ "I", "I", "I", "I", "Sc", "Sc", "Rb", "Rb" ]

2023-11-16 06:57:59

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3.799652

12.884724

pbe

true

131f0e2537795de831ee55495db0b291_122_Rb2Sc2I4

[ "K", "Pd", "Si" ]

10

A2B2C

K2Pd2Si

K4 Si2 Pd4

3

[ 1, 1, 1 ]

3

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[ "K", "K", "K", "K", "Si", "Si", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

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0

4.38968

pbe

true

9084d10a482d378241b717cf79866eb3_127_K4Si2Pd4

[ "Li", "Na", "Pb" ]

12

A9B2C

LiNa2Pb9

Na2 Li1 Pb9

3

[ 1, 1, 1 ]

3

[ [ 4.905392, 0, 0 ], [ 0, 4.90539298, 0 ], [ 0, 0, 14.66500354 ] ]

agm005871133

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

[ "Na", "Na", "Li", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.16666666666666666, 0.75 ]

[ [ 4.787444, 0, 0 ], [ 0, 4.787446, 0 ], [ 0, 0, 4.8673134 ] ]

-39.41998

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

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0

3.361965

pbe

true

83b346601464541a6549e462bc678b4e_123_Na2Li1Pb9

[ "N", "Rb", "Y" ]

5

A3BC

NRb3Y

Rb3 Y1 N1

3

[ 1, 1, 1 ]

3

[ [ 7.47950058, 0, 0 ], [ 0, 7.47950058, 0 ], [ 0, 0, 7.47950058 ] ]

agm002535426

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

[ "Y", "Rb", "Rb", "Rb", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.10007005, 0, 0 ], [ 0, 0.10007005, 0 ], [ 0, 0, 0.10007005 ] ]

-7.815945

[ 0.869, 0.035, 0.032, 0.032, 0.039 ]

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

2.586633

21.426207

pbe

true

8209cb376e6acd6a8b1d24433b865cf9_221_Rb3Y1N1

[ "Nd", "Pr", "Pt" ]

12

A3B2C

NdPr3Pt2

Pr6 Nd2 Pt4

3

[ 1, 1, 1 ]

3

[ [ 5.47519313, 0, 0 ], [ -2.73759656, 10.99532634, 0.34092775 ], [ 0, -5.08821019, 5.65759655 ] ]

agm003425132

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Nd", "Nd", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 1.3678724, 0, 0 ], [ 0, 1.2507036, -0.08527779 ], [ 0, -0.08527785, 1.3516221 ] ]

-70.4883

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0.000004

11.874193

pbe

true

c626d9e44060359d65b5cb804d85ea9f_12_Pr6Nd2Pt4

[ "Ni", "Pb", "Te" ]

8

A2BC

NiPbTe2

Ni2 Te4 Pb2

3

[ 1, 1, 1 ]

3

[ [ 5.44137532, 1e-8, 0 ], [ -1e-7, 5.58445538, 0 ], [ 0, 0, 19.82874298 ] ]

agm2000098952

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

[ "Ni", "Ni", "Te", "Te", "Te", "Te", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.58956903, 1e-8, 0 ], [ 1e-8, -0.64416, 0 ], [ 0, 0, -1.1606417 ] ]

-31.707385

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

[ [ -0.002417, 0.00996814, 0 ], [ 0.002417, 0.00996814, 0 ], [ -0.00211566, -0.00376593, -0.00043177 ], [ 0.00211566, -0.00376593, 0.00043177 ], [ 0.00211566, -0.00376593, -0.00043177 ], [ -0.00211566, -0.00376593, 0.00043177 ], [ -0.00261835, -0.00243628, 0 ], [ 0.00261835, -0.00243628, 0 ] ]

0

3.447186

pbe

true

108730f0a97e7962026e243e63ea6f66_51_Ni2Te4Pb2

[ "Rh", "Tc", "Y" ]

3

ABC

RhTcY

Y1 Tc1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 5.61999445, -0.00601874, 0.01117975 ], [ 3.57869228, 4.33328231, -0.01117975 ], [ -4.36299496, -2.66605179, 2.33258262 ] ]

agm004383294

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

[ "Rh", "Tc", "Y" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 5.857699, -0.23604502, 0.01894354 ], [ -0.23604502, 6.248431, -0.04027482 ], [ 0.01894354, -0.04027482, 6.3387113 ] ]

-24.222999

[ 0, 0, 0 ]

[ [ -0.00335345, -0.00157754, 0 ], [ 0.00214607, 0.00100956, 0 ], [ 0.00120738, 0.00056798, 0 ] ]

-0.000005

3.367769

pbe

true

d20a2d31d88028b4dcf8968085bac2ea_44_Y1Tc1Rh1

[ "S", "W", "Zr" ]

4

A2BC

SW2Zr

Zr1 W2 S1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.21912041, 3.21912041 ], [ 3.21912041, 0, 3.21912041 ], [ 3.21912041, 3.21912041, 0 ] ]

agm002732021

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

[ "S", "Zr", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.358987, 0, 0 ], [ 0, 4.358987, 0 ], [ 0, 0, 4.358987 ] ]

-35.602676

[ 0, 0, 0, 0 ]

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

-0

4.030301

pbe

true

cf1dda88a9ca6d0e412d3071d1548400_225_Zr1W2S1

[ "Ac", "I", "Sn", "Sr" ]

4

ABCD

AcISnSr

Sr1 Ac1 Sn1 I1

4

[ 1, 1, 1 ]

3

[ [ 5.86143384, 0, 0 ], [ 2.93071692, 5.07615061, 0 ], [ 2.93071692, 1.6920502, 4.78584069 ] ]

agm001915357

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

[ "I", "Sr", "Ac", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.9197377, 0, 0 ], [ 0, 0.9197377, 0 ], [ 0, 0, 0.9197377 ] ]

-14.742387

[ 0, 0, 0, 0 ]

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

-0.000002

1.835157

pbe

true

7d221951d108b873b1e3860032999680_216_Sr1Ac1Sn1I1

[ "Bi", "Ga", "Os", "Sr" ]

5

A2BCD

Bi2GaOsSr

Sr1 Ga1 Bi2 Os1

4

[ 1, 1, 1 ]

3

[ [ 5.52496126, 0, 0 ], [ 0, 4.73595945, 0 ], [ 0, 0, 5.52496126 ] ]

agm001522099

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

[ "Sr", "Os", "Bi", "Bi", "Ga" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 1.0897107, 0, 0 ], [ 0, 1.9367124, 0 ], [ 0, 0, 1.0897107 ] ]

-21.214402

[ 0, 0, 0, 0, 0 ]

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

0

4.43938

pbe

true

66ef28d086ad432d95db0e919996256f_123_Sr1Ga1Bi2Os1

[ "Br", "Nd", "Ru", "S" ]

12

A6B3C2D

Br3Nd6Ru2S

Nd6 Ru2 S1 Br3

4

[ 1, 1, 1 ]

3

[ [ 7.18537299, -0.0000886, 0.00140811 ], [ -3.59101437, 6.22368065, 0.00140811 ], [ -1.19708208, -2.07273434, 7.70984517 ] ]

agm004626648

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

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ru", "Ru", "S", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.7372733, 0.0027545, 0.00133064 ], [ 0.0027545, 0.7404518, 0.00230398 ], [ 0.00133066, 0.00230403, 0.79105633 ] ]

-69.265965

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

[ [ -0.0002689, 0.00164415, -0.00240522 ], [ 0.00042538, 0.00073655, 0.0022894 ], [ 0.0002689, -0.00164415, 0.00240522 ], [ 0.00155849, 0.00058876, -0.00240522 ], [ -0.00042538, -0.00073655, -0.0022894 ], [ -0.00155849, -0.00058876, 0.00240522 ], [ -0.00173134, 0.00099992, 0 ], [ 0.00173134, -0.00099992, 0 ], [ 0, 0, 0 ], [ -0.0024595, 0.00142045, 0 ], [ 0.0024595, -0.00142045, 0 ], [ 0, 0, 0 ] ]

0.000024

9.24866

pbe

true

5b31a2306fcdeddc5356dba6a2055b9e_12_Nd6Ru2S1Br3

[ "F", "N", "Se", "Zn" ]

5

A2BCD

FN2SeZn

Zn1 Se1 N2 F1

4

[ 1, 1, 1 ]

3

[ [ 3.88482183, 0, 0 ], [ 0, 3.88482183, 0 ], [ 0, 0, 4.0883706 ] ]

agm001721007

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

[ "Zn", "N", "N", "Se", "F" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.6632971, 0, 0 ], [ 0, 0.6632971, 0 ], [ 0, 0, 1.4356276 ] ]

-18.530645

[ 0, 0, 0, 0, 0 ]

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

0

1.335262

pbe

true

70c1dd6e989a6a063db4da288b06682c_123_Zn1Se1N2F1

[ "Ge", "Pm", "Pt", "Th" ]

4

ABCD

GePmPtTh

Pm1 Th1 Ge1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 5.15748942, 0, 0 ], [ 2.57874471, 4.46651686, 0 ], [ 2.57874471, 1.48883895, 4.21107248 ] ]

agm001284543

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

[ "Ge", "Pt", "Th", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.7160008, 0, 0 ], [ 0, 1.7160008, 0 ], [ 0, 0, 1.7160008 ] ]

-25.851542

[ 0, 0, 0, 0 ]

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

-0.000147

4.428464

pbe

true

1acf329dbda9437169ed78b6c32e1701_216_Pm1Th1Ge1Pt1

[ "H", "Mo", "Pd", "Si" ]

5

A2BCD

HMoPd2Si

Si1 Mo1 H1 Pd2

4

[ 1, 1, 1 ]

3

[ [ 4.91422136, 0, 0 ], [ 0, 3.28470865, 0 ], [ 0, 0, 4.91422136 ] ]

agm001480540

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2023-11-16 06:57:59

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A4B3C2D

Ir4Sb3Sr2Th

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2023-11-16 06:57:59

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Li2PmSi2Tm

Li2 Pm1 Tm1 Si2

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[ "Li", "Li", "Pm", "Tm", "Si", "Si" ]

2023-11-16 06:57:59

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AcPb2Sr

Sr1 Ac1 Pb2

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2023-11-16 06:57:59

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A3B3C

As3Ni3Th

Th2 Ni6 As6

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2023-11-16 06:57:59

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[ "B", "Na", "Ni", "O" ]

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A6B3C2D

B2Na3NiO6

B8 Na12 Ni4 O24

4

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3

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mp-772229

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2014-02-19 01:18:24

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[]

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[]

4.366

1.160036

pbe

true

b8405957df0e6e2dda1ea5a5c473b32e_14_Na12Ni4B8O24

[ "H", "Mg", "O", "V" ]

10

A5B2C2D

H2MgO5V2

H2 Mg1 O5 V2

4

[ 1, 1, 1 ]

3

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mp-2240197

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[ "Mg", "V", "V", "H", "H", "O", "O", "O", "O", "O" ]

2022-05-20 03:31:01

[ 0.2, 0.1, 0.5, 0.2 ]

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A8B2CD

Er2NpO8Y

Y1 Er2 Np1 O8

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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5

A2BCD

Fe2GeNNi

Fe2 Ni1 Ge1 N1

4

[ 1, 1, 1 ]

3

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agm001613752

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2023-11-16 06:57:59

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4.657431

4.099645

pbe

true

658431a668974934861bb9c41adc4c2e_123_Fe2Ni1Ge1N1

[ "Ga", "H", "In", "Sr" ]

4

ABCD

GaHInSr

Sr1 In1 Ga1 H1

4

[ 1, 1, 1 ]

3

[ [ 4.76199879, 0, 0 ], [ 2.3809994, 4.12401193, 0 ], [ 0, 0, 4.3232702 ] ]

agm002153841

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[ "Sr", "H", "Ga", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.4252856, 0, 0 ], [ 0, 3.4252856, 0 ], [ 0, 0, 3.496512 ] ]

-12.113594

[ 0, 0, 0, 0 ]

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1.16788

pbe

true

da69f31a7a648d29c9a556423d2294d1_156_Sr1In1Ga1H1

[ "Ir", "Li", "N", "Pa" ]

15

A8B3C3D

IrLi3N8Pa3

Li3 Pa3 Ir1 N8

4

[ 1, 1, 1 ]

3

[ [ 6.82449864, 0.00002825, 0.00063953 ], [ -3.41222817, 5.91009361, -0.02186297 ], [ 0.00046441, -3.92241039, 5.00583322 ] ]

agm004701621

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[ "Li", "Li", "Li", "Pa", "Pa", "Pa", "Ir", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]

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0.000263

6.976581

pbe

true

cd6b5d0563cc9a3465320682329b5f5e_166_Li3Pa3Ir1N8

[ "N", "Pm", "Sr", "V" ]

12

A3BCD

N3PmSrV

Sr2 Pm2 V2 N6

4

[ 1, 1, 1 ]

3

[ [ 3.85950409, 0, 0 ], [ -1.92975205, 6.69206698, -0.01391901 ], [ 0, -1.98278768, 7.07123083 ] ]

agm005030843

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[ "Sr", "Sr", "Pm", "Pm", "V", "V", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

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-92.886195

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-0.000006

0.206035

pbe

true

f767b9a02a6061b395e1e9cdd34d950f_12_Sr2Pm2V2N6

[ "Nd", "Pm", "Sm", "Y" ]

12

A6B3C2D

Nd3Pm6Sm2Y

Pm6 Nd3 Sm2 Y1

4

[ 1, 1, 1 ]

3

[ [ 6.32495328, -0.00008389, 0.00493046 ], [ -3.16100986, 5.47841681, 0.00493046 ], [ -1.06565871, -1.84517622, 11.9167402 ] ]

agm004631902

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[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Nd", "Nd", "Nd", "Sm", "Sm", "Y" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.983994, -0.01684874, -0.01165781 ], [ -0.01684874, 0.9645514, -0.02018537 ], [ -0.01165792, -0.02018555, 1.0041714 ] ]

-58.554255

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

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0.000001

17.686794

pbe

true

884d3ee0c7bcdeec6c66f2d3f949e1a4_12_Pm6Nd3Sm2Y1

[ "Np", "Pd", "Rb", "S" ]

20

A12B4C3D

Np4Pd3RbS12

Rb1 Np4 Pd3 S12

4

[ 1, 1, 1 ]

3

[ [ 8.45137055, 0, 0 ], [ -2.81712352, 7.96802857, 0 ], [ -2.81712352, -3.98401428, 6.90051516 ] ]

agm004710344

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

[ "Rb", "Np", "Np", "Np", "Np", "Pd", "Pd", "Pd", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2, 0.15, 0.05, 0.6 ]

[ [ 1.1209623, 0, 0 ], [ 0, 1.1209623, 0 ], [ 0, 0, 1.1209623 ] ]

-134.904175

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11.00305

40.269005

pbe

true

59c7ac0294122bb3d1d2fb2a57b4eb68_204_Rb1Np4Pd3S12

[ "In", "P" ]

2

AB

InP

In1 P1

2

[ 1, 1, 1 ]

3

[ [ 3.73930167, 0.00012041, -0.00078137 ], [ 0.00012041, 3.73930167, -0.00078137 ], [ -1.87024065, -1.87024065, 3.25414794 ] ]

agm002178528

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

[ "P", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 3.3522854, -0.27871862, 0.1418499 ], [ -0.27871862, 3.3522854, 0.1418499 ], [ 0.1418502, 0.1418502, 2.8427873 ] ]

-8.122625

[ 0, 0 ]

[ [ -0.00066432, -0.00066432, -0.0412971 ], [ 0.00066432, 0.00066432, 0.0412971 ] ]

0

0.626007

pbe

true

2a7080d6d292396c6fd0c667a9e6d0d1_107_In1P1

[ "Sc", "W" ]

8

A7B

ScW7

Sc1 W7

2

[ 1, 1, 1 ]

3

[ [ 0, 4.07425815, 4.07425815 ], [ 4.07425815, 0, 4.07425815 ], [ 4.07425815, 4.07425815, 0 ] ]

agm005491039

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

[ "Sc", "W", "W", "W", "W", "W", "W", "W" ]

2023-11-16 06:57:59

[ 0.125, 0.875 ]

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-92.773099

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-0.000005

10.804094

pbe

true

922476cd5039d6967c308e58bf51b0f8_225_Sc1W7

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

6

ABC

AcBrSr

Sr2 Ac2 Br2

3

[ 1, 1, 1 ]

3

[ [ 4.05750123, 0, 0 ], [ -2.02875062, 3.51389914, 0 ], [ 0, 0, 16.39555167 ] ]

agm001009940

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

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

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.6804948, 0, 0 ], [ 0, 0.6804948, 0 ], [ 0, 0, 0.64587486 ] ]

-20.132002

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

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0.00004

2.948569

pbe

true

16dd48df9cd5ab38a4fce92552946b60_187_Sr2Ac2Br2

[ "Ac", "Pd", "Sm" ]

12

ABC

AcPdSm

Ac4 Sm4 Pd4

3

[ 1, 1, 1 ]

3

[ [ 6.39654812, 0, 0 ], [ 0, 7.10926626, -2.04139469 ], [ 0, 1.72426067, 8.25973495 ] ]

agm005652163

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

[ "Ac", "Ac", "Ac", "Ac", "Sm", "Sm", "Sm", "Sm", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-61.420993

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

[ [ -0.00006744, -0.0002017, 0.00147324 ], [ 0.00006744, 0.0002017, -0.00147324 ], [ -0.00006744, 0.0002017, -0.00147324 ], [ 0.00006744, -0.0002017, 0.00147324 ], [ -0.00303662, -0.00396101, -0.00118703 ], [ 0.00303662, -0.00396101, -0.00118703 ], [ 0.00303662, 0.00396101, 0.00118703 ], [ -0.00303662, 0.00396101, 0.00118703 ], [ 0.00413534, -0.00238862, -0.00030104 ], [ -0.00413534, 0.00238862, 0.00030104 ], [ -0.00413534, -0.00238862, -0.00030104 ], [ 0.00413534, 0.00238862, 0.00030104 ] ]

0.000948

13.801078

pbe

true

2a7098532e7e59d9eaba4908a5d034e9_14_Ac4Sm4Pd4

[ "Ag", "Au", "Ge", "Te" ]

12

A3BCD

AgAuGeTe3

Ag1 Au1 Ge1 Te3

4

[ 1, 1, 1 ]

3

[ [ 2.033813787, -8.59315214, 0 ], [ 2.033813787, 8.59315214, 0 ], [ 0, 0, 8.81336804 ] ]

oqmd-7682274

[ [ 2.0338099999999995, 8.099209999999998, 2.20334 ], [ 2.0338099999999995, -8.099209999999998, 6.610029999999999 ], [ 2.03381, 4.8317330632693707e-17, 0 ], [ 2.03381, 4.8317330632693707e-17, 4.40668 ], [ 2.03381, -4.123560000000001, 2.20334 ], [ 2.03381, 4.12356, 6.610029999999999 ], [ 2.03381, 5.81801, 0.52628 ], [ 2.03381, 1.5775499999999998, 2.20334 ], [ 2.03381, 5.81801, 3.880409999999999 ], [ 2.03381, -5.81801, 4.932959999999999 ], [ 2.03381, -1.5775500000000002, 6.610029999999999 ], [ 2.03381, -5.81801, 8.287089999999997 ] ]

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

[ "Ag", "Ag", "Au", "Au", "Ge", "Ge", "Te", "Te", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 10.27286741, 0, 0 ], [ 0, 13.5908903, 0 ], [ 0, 0, 0.58076875 ] ]

-39.2631

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

[ [ 0, 0.033375, 0 ], [ 0, -0.033375, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.014853, 0 ], [ 0, 0.014853, 0 ], [ 0, 0.01182, 0.116822 ], [ 0, -0.014495, 0 ], [ 0, 0.01182, -0.116822 ], [ 0, -0.01182, 0.116822 ], [ 0, 0.014495, 0 ], [ 0, -0.01182, -0.116822 ] ]

null

pbe

true

e0dbc357490d09a00d8b608a72ac0bac_63_Ag2Ge2Te6Au2

[ "Au", "H", "Tl" ]

10

A2B2C

Au2HTl2

Tl4 H2 Au4

3

[ 1, 1, 1 ]

3

[ [ 6.77534604, 0, 0 ], [ 0, 6.77534604, 0 ], [ 0, 0, 4.69901653 ] ]

agm002983069

[ [ 0, 0, 0 ], [ 3.38767302, 3.38767302, 0 ], [ 2.140066898005836, 5.527739918005835, 0 ], [ 5.527739918005835, 4.635279141994164, 0 ], [ 4.635279141994164, 1.2476061219941639, 0 ], [ 1.2476061219941639, 2.140066898005836, 0 ], [ 0.955166603611872, 4.342839623611872, 2.349508265 ], [ 4.342839623611872, 5.820179436388128, 2.349508265 ], [ 5.820179436388128, 2.4325064163881276, 2.349508265 ], [ 2.4325064163881276, 0.955166603611872, 2.349508265 ] ]

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

[ "H", "H", "Tl", "Tl", "Tl", "Tl", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 8.006833, 0, 0 ], [ 0, 8.006833, 0 ], [ 0, 0, 8.3088045 ] ]

-25.748796

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00656093, -0.00656093, 0 ], [ -0.00656093, 0.00656093, 0 ], [ 0.00656093, 0.00656093, 0 ], [ 0.00656093, -0.00656093, 0 ], [ -0.00011063, -0.00011063, 0 ], [ -0.00011063, 0.00011063, 0 ], [ 0.00011063, 0.00011063, 0 ], [ 0.00011063, -0.00011063, 0 ] ]

0

2.835944

pbe

true

57396c54d13b12027f5b8a28a21ee711_127_Tl4H2Au4

[ "Au", "Hg", "Nd" ]

4

A2BC

AuHg2Nd

Nd1 Hg2 Au1

3

[ 1, 1, 1 ]

3

[ [ 3.48813796, 0, 0 ], [ 1.74406898, 3.02081609, 0 ], [ 1.74406898, 1.0069387, 10.51828845 ] ]

agm001957888

[ [ 0, 0, 0 ], [ 3.48813796, 2.0138773949999997, 5.259144225 ], [ 1.7440707240689801, 1.0069397059559615, 7.417280864112353 ], [ 5.232205195931019, 3.020815084044038, 3.101007585887648 ] ]

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

[ "Nd", "Au", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.478627, 0, 0 ], [ 0, 3.478627, 0 ], [ 0, 0, 3.3340125 ] ]

-8.088536

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00839312 ], [ 0, 0, 0.00839312 ] ]

0

2.638717

pbe

true

c2296b3ee4fce3419d1c2af690c280fc_166_Nd1Hg2Au1

[ "Ba", "P", "S" ]

4

A2BC

BaPS2

Ba1 P1 S2

3

[ 1, 1, 1 ]

3

[ [ 2.82010064, 0, 7.41275961 ], [ -1.41005032, 2.4422788, 7.41275961 ], [ -1.41005032, -2.4422788, 7.41275961 ] ]

agm002778635

[ [ 0, 0, 0 ], [ 5.2100932561415906e-17, -1.4928446837984666e-16, 20.01019009277617 ], [ 6.604204856486717e-18, 1.1645687009576024e-18, 2.2280887372238283 ], [ 0, 0, 11.119139415 ] ]

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

[ "P", "S", "S", "Ba" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.03183183, 0, 0 ], [ 0, 0.03183183, 0 ], [ 0, 0, -0.99860305 ] ]

-17.447728

[ 0.348, 0.038, 0.038, 0.024 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00629359 ], [ 0, 0, -0.00629359 ], [ 0, 0, 0 ] ]

1.000001

4.903075

pbe

true

78431ed9c559cf310f38ec79f34d5770_166_Ba1P1S2

[ "Cd", "I", "In" ]

18

A6B2C

CdI6In2

Cd2 In4 I12

3

[ 1, 1, 1 ]

3

[ [ 10.85201836, 0.97810493, 0.94691028 ], [ 4.63297821, 10.5873754, -0.40159017 ], [ 4.63297821, -0.05833495, 10.59482844 ] ]

agm003498286

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

[ "Cd", "Cd", "In", "In", "In", "In", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]

[ [ 0.7497127, -0.00717503, -0.0069462 ], [ -0.00717501, 0.83720344, 0.0265979 ], [ -0.00694618, 0.0265979, 0.8354789 ] ]

-39.658069

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

[ [ 0, -0.00214285, 0.00221344 ], [ 0, 0.00214285, -0.00221344 ], [ -0.00114005, -0.00341449, -0.00408312 ], [ 0.00114005, 0.00419161, 0.0032804 ], [ 0.00114005, 0.00341449, 0.00408312 ], [ -0.00114005, -0.00419161, -0.0032804 ], [ 0.00099948, 0.00060208, 0.00120466 ], [ -0.00099948, -0.00122354, -0.00056273 ], [ -0.00099948, -0.00060208, -0.00120466 ], [ 0.00099948, 0.00122354, 0.00056273 ], [ -0.00239484, 0.00053309, -0.00062612 ], [ 0.00239484, 0.00060851, -0.00055309 ], [ 0.00239484, -0.00053309, 0.00062612 ], [ -0.00239484, -0.00060851, 0.00055309 ], [ -0.00360715, 0.00205419, 0.00059304 ], [ 0.00360715, -0.00065929, -0.0020339 ], [ 0.00360715, -0.00205419, -0.00059304 ], [ -0.00360715, 0.00065929, 0.0020339 ] ]

0

5.538547

pbe

true

d66ae8fe34dfecd9adc4b9f92e77081c_15_Cd2In4I12

[ "Cl", "H", "Tl" ]

10

A3BC

ClH3Tl

Tl2 H6 Cl2

3

[ 1, 1, 1 ]

3

[ [ 2.2859387, 1.00101753, 3.65790542 ], [ -0.18712586, 4.2211809, -1.03822271 ], [ 24.29277229, 13.90494826, 61.27316272 ] ]

agm005916915

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

[ "Tl", "Tl", "H", "H", "H", "H", "H", "H", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 3.4790456, -0.02167118, 0.21681577 ], [ -0.02167116, 5.1778502, 0.03233714 ], [ 0.21681581, 0.03233714, 5.2632594 ] ]

-32.338349

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

[ [ 0.00024437, 0.00127717, 0.00514866 ], [ -0.00024437, -0.00127717, -0.00514866 ], [ 0.0225799, -0.00605654, -0.02869431 ], [ -0.0225799, 0.00605654, 0.02869431 ], [ 0.0095311, -0.00494029, -0.02180398 ], [ -0.0095311, 0.00494029, 0.02180398 ], [ -0.01336691, 0.00439083, 0.02026135 ], [ 0.01336691, -0.00439083, -0.02026135 ], [ -0.00284794, -0.00053101, -0.00164567 ], [ 0.00284794, 0.00053101, 0.00164567 ] ]

0

pbe

true

8f4e137163ebbf49c3196be63a7c485e_12_Tl2H6Cl2

[ "Cr", "P", "Pt" ]

4

A2BC

Cr2PPt

Cr2 P1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.87243012, -0.00841635, -0.00363655 ], [ 2.15316053, 4.37087471, 0.00363654 ], [ -2.99958484, -3.00773959, 2.38676613 ] ]

agm003806163

[ [ 6.8051863493408336, 4.225600886815089, -9.686283599904046e-9 ], [ 0.7336147856591664, -0.6896529368150897, 2.3867661246862832 ], [ 2.6928203025, -0.41746338000000005, 1.1915647875 ], [ 1.3331855075, 1.77218215, 1.1952013325 ] ]

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

[ "Cr", "Cr", "P", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.792346, 0.28345507, -0.25723356 ], [ 0.28345507, 5.511859, 0.41426012 ], [ -0.25723356, 0.41426012, 5.7349753 ] ]

-31.102462

[ 0, 0, 0, 0 ]

[ [ 0.00243257, 0.00151048, 0 ], [ -0.00243257, -0.00151048, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000132

4.181447

pbe

true

af794854c5806cf895d5482a443ca42a_71_Cr2P1Pt1

[ "Er", "Sm", "Tb" ]

6

A4BC

ErSm4Tb

Tb1 Sm4 Er1

3

[ 1, 1, 1 ]

3

[ [ 3.45959779, 0.00001246, 0.00000594 ], [ 0.00014181, 8.22742162, -0.00391867 ], [ 0.00006511, 0.00996156, 8.22731995 ] ]

agm003738062

[ [ 0.00010346, 4.11869159, 4.1117006400000005 ], [ 1.7298929544936457, 2.1475786942255644, 6.086449625188932 ], [ 0.0002003698553501, 6.277197885265832, 6.266231955969318 ], [ 3.4596043401446495, 1.960197754734167, 1.957175264030682 ], [ 1.7299117555063543, 6.089816945774435, 2.1369575948110677 ], [ 1.729798895, 0.00000623, 0.00000297 ] ]

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

[ "Tb", "Sm", "Sm", "Sm", "Sm", "Er" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 1.0494803, 0.00002566, 0.00001216 ], [ 0.00002566, 1.2579861, 0.02482787 ], [ 0.00001216, 0.02482787, 1.2578728 ] ]

-24.187587

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

[ [ 0, 0, 0 ], [ 0, 0.00024312, -0.00024353 ], [ -1e-8, -0.000503, -0.00050215 ], [ 1e-8, 0.000503, 0.00050215 ], [ 0, -0.00024312, 0.00024353 ], [ 0, 0, 0 ] ]

-0.000048

9.5896

pbe

true

6ebafd0801389f450ba222587f7363c6_65_Tb1Sm4Er1

[ "Ga", "Mg", "Sn" ]

6

ABC

GaMgSn

Mg2 Ga2 Sn2

3

[ 1, 1, 1 ]

3

[ [ 5.67996061, 0.65277291, 0.69091128 ], [ 3.36932336, 4.36996693, 0.77773988 ], [ 0.72128812, 0.78526989, 6.15010852 ] ]

agm003603744

[ [ 4.907828394826717, 1.884448652746876, 6.098037296070738 ], [ 4.862743695173282, 3.923561077253124, 1.5207223839292616 ], [ 7.715042644201189, 3.4325767108728145, 5.885781670305202 ], [ 2.0555294457988116, 2.3754330191271857, 1.7329780096947984 ], [ 4.654584689322281, 1.2857070316351658, 3.040685272528313 ], [ 5.11598740067772, 4.522302698364835, 4.578074407471687 ] ]

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

[ "Mg", "Mg", "Ga", "Ga", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.0155492, 0.0341459, -0.03300815 ], [ 0.0341458, 3.0922582, 0.01320802 ], [ -0.03300789, 0.01320798, 2.8312168 ] ]

-17.545528

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

[ [ 0.00151101, -0.00177241, -0.01264728 ], [ -0.00151101, 0.00177241, 0.01264728 ], [ -0.00488491, -0.00181563, 0.00335647 ], [ 0.00488491, 0.00181563, -0.00335647 ], [ 0.00070239, 0.00140936, 0.00139608 ], [ -0.00070239, -0.00140936, -0.00139608 ] ]

0

1.576776

pbe

true

b80d41f149a663592027468e40b3969b_2_Mg2Ga2Sn2

[ "Gd", "Ge", "Pr" ]

4

A2BC

Gd2GePr

Pr1 Gd2 Ge1

3

[ 1, 1, 1 ]

3

[ [ 4.75489268, 0, 0 ], [ 0, 4.76665161, 0 ], [ 0, 0, 4.76665161 ] ]

agm001208099

[ [ 2.37744634, 0, 0 ], [ 2.37744634, 2.383325805, 2.383325805 ], [ 0, 0, 2.383325805 ], [ 0, 2.383325805, 0 ] ]

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

[ "Pr", "Ge", "Gd", "Gd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.1694858, 0, 0 ], [ 0, 1.4716872, 0 ], [ 0, 0, 1.4716872 ] ]

-38.976778

[ 0.056, -0.055, 7.202, 7.202 ]

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

14.866092

3.972957

pbe

true

462af82b17113ec47e051c29a782e12f_123_Pr1Gd2Ge1

[ "Ge", "Pd", "Pm" ]

10

A2B2C

GePd2Pm2

Pm4 Ge2 Pd4

3

[ 1, 1, 1 ]

3

[ [ 5.70407838, -2e-8, -1e-8 ], [ -2.8520387, 4.74138201, -1.3738726 ], [ -1e-8, 0.00126758, 8.03210299 ] ]

agm005832575

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

[ "Pm", "Pm", "Pm", "Pm", "Ge", "Ge", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 3.5706556, 3.5e-7, -2e-8 ], [ 3.5e-7, 3.4803898, -0.06418034 ], [ -2e-8, -0.06418048, 3.446638 ] ]

-57.406997

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

[ [ -0.00049349, -0.00207785, -0.00039263 ], [ -0.00049349, 0.00207785, 0.00039263 ], [ 0.00049349, 0.00207785, 0.00039263 ], [ 0.00049349, -0.00207785, -0.00039263 ], [ 0.00069926, 0, 0 ], [ -0.00069926, 0, 0 ], [ -0.00002026, -0.00191518, 0.00245394 ], [ -0.00002026, 0.00191518, -0.00245394 ], [ 0.00002026, 0.00191518, -0.00245394 ], [ 0.00002026, -0.00191518, 0.00245394 ] ]

0

4.847589

pbe

true

67e54fb844fad9b88cabe693ec889654_15_Pm4Ge2Pd4

[ "In", "Mg", "Os" ]

5

A3BC

In3MgOs

Mg1 In3 Os1

3

[ 1, 1, 1 ]

3

[ [ 5.20759332, 0, 0 ], [ 0, 5.20759332, 0 ], [ 0, 0, 5.20759332 ] ]

agm002519930

[ [ 2.60379666, 2.60379666, 2.60379666 ], [ 0, 0, 0 ], [ 0, 2.60379666, 0 ], [ 0, 0, 2.60379666 ], [ 2.60379666, 0, 0 ] ]

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

[ "Mg", "Os", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 3.389616, 0, 0 ], [ 0, 3.389616, 0 ], [ 0, 0, 3.389616 ] ]

-19.535289

[ 0, 0, 0, 0, 0 ]

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

-0

2.680156

pbe

true

1a417a9971f3f303f15d87f256a25aca_221_Mg1In3Os1

[ "Ir", "Rh", "Tc" ]

16

A2BC

IrRhTc2

Tc8 Ir4 Rh4

3

[ 1, 1, 1 ]

3

[ [ 5.40380327, -0.01162343, 0.97642482 ], [ -0.01334113, 5.48215367, -0.00912556 ], [ 1.33670217, 0.00805434, 8.018093 ] ]

agm005784783

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

[ "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "Tc", "Ir", "Ir", "Ir", "Ir", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 8.00086, -0.07748459, -0.04991996 ], [ -0.07748479, 8.061048, -0.00823278 ], [ -0.04992055, -0.00823273, 8.229822 ] ]

-149.777338

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

[ [ -0.00185351, -0.00200758, 0.00008597 ], [ 0.00185351, 0.00200758, -0.00008597 ], [ -0.00460467, 0.00115373, 0.00435775 ], [ 0.00460467, -0.00115373, -0.00435775 ], [ -0.00002372, -0.00457072, -0.00009289 ], [ 0.00002372, 0.00457072, 0.00009289 ], [ -0.00361787, 0.00229608, -0.00354152 ], [ 0.00361787, -0.00229608, 0.00354152 ], [ 0.00221469, 0.00063515, -0.00277118 ], [ -0.00221469, -0.00063515, 0.00277118 ], [ -0.00092104, -0.00416524, -0.00185059 ], [ 0.00092104, 0.00416524, 0.00185059 ], [ 0.00451306, 0.00574354, 0.00066838 ], [ -0.00451306, -0.00574354, -0.00066838 ], [ 0.00250502, -0.00596, 0.0012161 ], [ -0.00250502, 0.00596, -0.0012161 ] ]

-0

13.670372

pbe

true

3dc03b82f4b71106fa3d0474ca7ad4f3_2_Tc8Ir4Rh4

[ "Ir", "Tc", "Th" ]

6

ABC

IrTcTh

Th2 Tc2 Ir2

3

[ 1, 1, 1 ]

3

[ [ 5.56018146, -0.02246563, 0.35474866 ], [ -2.73204519, 4.84273183, -0.35474866 ], [ 2.9859244, 1.48789696, 4.4623298 ] ]

agm001047950

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

[ "Th", "Th", "Ir", "Ir", "Tc", "Tc" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 4.281633, 0.06762601, 0.16303787 ], [ 0.06762601, 4.3572173, -0.09565723 ], [ 0.16303787, -0.09565723, 4.119157 ] ]

-56.378933

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

[ [ 0.00195069, -0.0011445, 0.00164335 ], [ -0.00195069, 0.0011445, -0.00164335 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000005

5.807253

pbe

true

2436e3f344066ac5c5968f9f1902162f_74_Th2Tc2Ir2

[ "Pa", "Pm", "Se" ]

19

A12B6C

Pa6PmSe12

Pm1 Pa6 Se12

3

[ 1, 1, 1 ]

3

[ [ 8.34127578, -0.12786282, -0.15317654 ], [ -1.39095038, 8.22547795, -0.15317655 ], [ -1.39095039, -1.62055447, 8.06571471 ] ]

agm003690042

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

[ "Pm", "Pa", "Pa", "Pa", "Pa", "Pa", "Pa", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.3157894736842105, 0.05263157894736842, 0.631578947368421 ]

[ [ 1.1109838, 0.04227364, 0.05064279 ], [ 0.04227364, 1.1239513, 0.0590024 ], [ 0.05064279, 0.0590024, 1.1453831 ] ]

-128.464793

[ 0.052, 1.321, 1.321, 1.321, 1.321, 1.321, 1.321, -0.038, -0.038, -0.038, -0.038, -0.038, -0.038, -0.031, -0.031, -0.031, -0.031, -0.031, -0.031 ]

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9.07297

32.749382

pbe

true

f6308bfa11b3575ffe66db50bb59dff5_148_Pm1Pa6Se12

[ "Ac", "Na", "O", "Zn" ]

18

A5B2CD

Ac2NaO5Zn

Na2 Ac4 Zn2 O10

4

[ 1, 1, 1 ]

3

[ [ 7.21749794, 0, 0 ], [ 0, 7.21749794, 0 ], [ -3.60874897, -3.60874897, 5.74704476 ] ]

agm005145394

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

[ "Na", "Na", "Ac", "Ac", "Ac", "Ac", "Zn", "Zn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.1111111111111111, 0.5555555555555556, 0.1111111111111111 ]

[ [ 0.6437469, 0, 0 ], [ 0, 0.6437469, 0 ], [ 0, 0, 0.7950999 ] ]

-112.15371

[ -0.001, -0.001, 0.011, 0.011, 0.011, 0.011, 0.065, 0.065, 0.139, 0.139, 0.139, 0.139, 0.139, 0.139, 0.139, 0.139, 0.176, 0.176 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00090418, -0.00090418, 0 ], [ 0.00090418, 0.00090418, 0 ], [ -0.00090418, -0.00090418, 0 ], [ -0.00090418, 0.00090418, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0020343, 0.0020343, -0.00368991 ], [ 0.0020343, 0.0020343, 0.00368991 ], [ -0.0020343, -0.0020343, 0.00368991 ], [ 0.0020343, -0.0020343, 0.00368991 ], [ -0.0020343, 0.0020343, 0.00368991 ], [ -0.0020343, 0.0020343, -0.00368991 ], [ 0.0020343, -0.0020343, -0.00368991 ], [ -0.0020343, -0.0020343, -0.00368991 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.877351

15.743366

pbe

true

6999ab1bdf06bc279cbafa33be67c8b6_140_Na2Ac4Zn2O10

[ "Au", "Cu", "Ga", "Sm" ]

12

A3BCD

AuCuGa3Sm

Sm2 Ga6 Cu2 Au2

4

[ 1, 1, 1 ]

3

[ [ 6.08397051, 0, 0 ], [ 0, 5.67413185, 0 ], [ 0, -2.83706593, 6.72337919 ] ]

agm005044838

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

[ "Sm", "Sm", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Cu", "Cu", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ -0.98351675, 0, 0 ], [ 0, -1.0131699, 0 ], [ 0, 0, -1.1894943 ] ]

-45.42137

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

[ [ 0, 0, 0.00200369 ], [ 0, 0, -0.00200369 ], [ 0, 0, 0.00783572 ], [ 0, 0.00352941, 0 ], [ 0, -0.00352941, 0 ], [ 0, 0.00352941, 0 ], [ 0, -0.00352941, 0 ], [ 0, 0, -0.00783572 ], [ 0, 0, 0.0033492 ], [ 0, 0, -0.0033492 ], [ 0, 0, 0.0008559 ], [ 0, 0, -0.0008559 ] ]

0.00003

4.234056

pbe

true

5d6cbf42676b39cd43b2cd04ca4d22a2_63_Sm2Ga6Cu2Au2

[ "Ba", "In", "Li", "Pt" ]

10

A6B2CD

Ba2InLi6Pt

Ba2 Li6 In1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 7.33019127, -0.00188959, -0.00063231 ], [ -0.00193876, 7.33188003, -0.00041816 ], [ 3.6635842, 3.66472698, 5.18321235 ] ]

agm004926339

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

[ "Ba", "Ba", "Li", "Li", "Li", "Li", "Li", "Li", "In", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.6, 0.1 ]

[ [ 1.227325, -0.02290487, -0.03575234 ], [ -0.02290485, 1.222819, -0.0350905 ], [ -0.03575249, -0.03509066, 1.1049689 ] ]

-25.714958

[ 0.05, 0.05, 0.019, 0.018, 0.019, 0.019, 0.018, 0.019, 0.009, -0.013 ]

[ [ 0.0008977, -0.00089604, -0.00073676 ], [ -0.0008977, 0.00089604, 0.00073676 ], [ 0.00093549, 0.0009231, -0.00284037 ], [ -0.00264425, -0.00163594, 0.00100977 ], [ 0.00248305, -0.00230334, -0.00000462 ], [ -0.00248305, 0.00230334, 0.00000462 ], [ 0.00264425, 0.00163594, -0.00100977 ], [ -0.00093549, -0.0009231, 0.00284037 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.877833

9.179477

pbe

true

003e3727b783c6eb5351fac4e483844b_225_Ba2Li6In1Pt1

[ "Cu", "N", "Os", "Sr" ]

5

A2BCD

CuNOsSr2

Sr2 Cu1 Os1 N1

4

[ 1, 1, 1 ]

3

[ [ 5.40456166, 0, 0 ], [ 0, 5.40456166, 0 ], [ 0, 0, 3.79346224 ] ]

agm001613344

[ [ 0, 2.70228083, 0 ], [ 2.70228083, 0, 0 ], [ 0, 0, 1.89673112 ], [ 2.70228083, 2.70228083, 1.89673112 ], [ 0, 0, 0 ] ]

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

[ "Sr", "Sr", "Os", "Cu", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ -0.03578758, 0, 0 ], [ 0, -0.03578758, 0 ], [ 0, 0, -0.266211 ] ]

-28.060301

[ 0, 0, 0, 0, 0 ]

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

0

1.594437

pbe

true

ca7e64b65fc8fa2efbdf30c48ba46598_123_Sr2Cu1Os1N1

[ "Dy", "Ru", "U", "Zr" ]

20

A5B2C2D

Dy2Ru5U2Zr

Dy4 Zr2 U4 Ru10

4

[ 1, 1, 1 ]

3

[ [ 3.52709419, 0, 0 ], [ 0, 10.51653736, 0 ], [ 0, 0, 10.51653736 ] ]

agm005135162

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Dy", "Dy", "Dy", "Dy", "Zr", "Zr", "U", "U", "U", "U", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.2, 0.5, 0.2, 0.1 ]

[ [ 5.3644395, 0, 0 ], [ 0, 5.0801926, 0 ], [ 0, 0, 5.0801926 ] ]

-179.147279

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

[ [ 0, -0.00140625, -0.00140625 ], [ 0, 0.00140625, 0.00140625 ], [ 0, -0.00140625, 0.00140625 ], [ 0, 0.00140625, -0.00140625 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00222948, 0.00222948 ], [ 0, -0.00222948, -0.00222948 ], [ 0, 0.00222948, -0.00222948 ], [ 0, -0.00222948, 0.00222948 ], [ 0, -0.0028382, -0.00495664 ], [ 0, 0.0028382, 0.00495664 ], [ 0, -0.00495664, 0.0028382 ], [ 0, -0.0028382, 0.00495664 ], [ 0, 0.00495664, -0.0028382 ], [ 0, 0.0028382, -0.00495664 ], [ 0, -0.00495664, -0.0028382 ], [ 0, 0.00495664, 0.0028382 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000016

15.24276

pbe

true

0d0cfb15c9280fa33ffa86893a35160f_127_Dy4Zr2U4Ru10

[ "Er", "Ho", "Na", "Se" ]

14

A8B4CD

ErHo4NaSe8

Na1 Ho4 Er1 Se8

4

[ 1, 1, 1 ]

3

[ [ 8.42382775, 0, 0 ], [ 4.21191388, 7.29524883, 0 ], [ 4.21191388, 2.43174961, 6.86599807 ] ]

agm004918703

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

[ "Na", "Ho", "Ho", "Ho", "Ho", "Er", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.07142857142857142, 0.2857142857142857, 0.07142857142857142, 0.5714285714285714 ]

[ [ -0.01535586, 0, 0 ], [ 0, -0.01535586, 0 ], [ 0, 0, -0.01556725 ] ]

-76.782881

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

[ [ 0, 0, -0.00045601 ], [ 0, 0, -0.00142812 ], [ 0, -0.00104386, 0.0001035 ], [ -0.00090401, 0.00052193, 0.0001035 ], [ 0.00090401, 0.00052193, 0.0001035 ], [ 0, 0, 0.00135788 ], [ 0, 0.00332724, -0.00062977 ], [ 0.00288147, -0.00166362, -0.00062977 ], [ -0.00288147, -0.00166362, -0.00062977 ], [ 0, 0, 0.00220245 ], [ 0, 0.00165235, 0.00020417 ], [ 0.00143098, -0.00082618, 0.00020417 ], [ -0.00143098, -0.00082618, 0.00020417 ], [ 0, 0, -0.0007099 ] ]

-0

0

pbe

true

eea1a2c1b0f7396d40d5172bcb48a696_160_Na1Ho4Er1Se8

[ "Br", "Hg", "Se" ]

4

A2BC

BrHg2Se

Hg2 Se1 Br1

3

[ 1, 1, 1 ]

3

[ [ 3.66595134, 0, 0 ], [ 0, 3.66595134, 0 ], [ 0, 0, 7.4903757 ] ]

agm003836023

[ [ 1.83297567, 1.83297567, 5.617781775 ], [ 0, 0, 0.20321209505083201 ], [ 0, 0, 3.5419757549491684 ], [ 1.83297567, 1.83297567, 1.872593925 ] ]

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

[ "Br", "Hg", "Hg", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.7914286, 0, 0 ], [ 0, 2.7914286, 0 ], [ 0, 0, 2.6188424 ] ]

-5.279793

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00234183 ], [ 0, 0, 0.00234183 ], [ 0, 0, 0 ] ]

-0.000003

2.477827

pbe

true

eb9eb5dcb9a65c0d479b596ddf5f7140_123_Hg2Se1Br1