LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Ba", "H", "N", "O", "P" ]

90

A18B16C6D4E

BaH16N4O18P6

Ba2 H32 N8 O36 P12

5

[ 1, 1, 1 ]

3

[ [ 0.00000182, 0.00000315, -9.1328814 ], [ -5.61640827, -9.72790452, 0.00000442 ], [ -5.61638124, 9.72788892, -0.00000221 ] ]

mp-1204631

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[ "Ba", "Ba", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N", "N", "N", "N", "N", "N", "N", "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" ]

2019-04-18 22:03:34

[ 0.022222222222222223, 0.35555555555555557, 0.08888888888888889, 0.4, 0.13333333333333333 ]

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-556.512939

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0

-0.394945

pbe

true

9be7db466afc3037843b4d0ee4cdfbbe_159_Ba2P12H32N8O36

[ "Al", "Mo" ]

4

A3B

AlMo3

Al1 Mo3

2

[ 1, 1, 1 ]

3

[ [ 9.46229636, 0.01728496, 0.0101326 ], [ 9.04169012, 2.7898371, 0.0101326 ], [ 9.04169012, 1.37165728, 2.42937235 ] ]

agm003786932

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

[ "Mo", "Mo", "Mo", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 7.106913, -0.10462936, -0.06133466 ], [ -0.10462936, 7.780736, -0.00930469 ], [ -0.06133466, -0.00930469, 7.7911544 ] ]

-35.416907

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0.000168

5.490075

pbe

true

dbc9578ba22c0b687f13ace9cce7613c_166_Al1Mo3

[ "Al", "Nd" ]

2

AB

AlNd

Al1 Nd1

2

[ 1, 1, 1 ]

3

[ [ 0, 3.111613, 3.111613 ], [ 3.111613, 0, 3.111613 ], [ 3.111613, 3.111613, 0 ] ]

oqmd-3703280

[ [ 0, 0, 0 ], [ 3.1116099999999984, 3.1116099999999984, 3.1116099999999984 ] ]

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

[ "Al", "Nd" ]

2024-11-01 00:00:00

[ 0.5, 0.5 ]

[ [ 1.1414, 0, 0 ], [ 0, 1.1414, 0 ], [ 0, 0, 1.1414 ] ]

-8.35841

[ 0.032, 0.087 ]

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

0.295607

null

pbe

true

a9d578c1b9f2ebad1ae614a7367cffcd_225_Nd1Al1

[ "Ba", "In", "K", "O", "P" ]

152

A12B3C2DE

BaIn2KO12P3

Ba8 In16 K8 O96 P24

5

[ 1, 1, 1 ]

3

[ [ 10.33922969, 0.00202684, 0.00235886 ], [ 0.00202703, 10.33603462, 0.0020704 ], [ 0.0047189, 0.00414163, 20.67359002 ] ]

mp-695157

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2013-11-30 02:23:41

[ 0.05263157894736842, 0.10526315789473684, 0.05263157894736842, 0.631578947368421, 0.15789473684210525 ]

[]

-1,018.911102

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[]

0

2.971945

pbe

true

2ad9d1b317c9b5d97473a49dfd925f1e_1_K8Ba8In16P24O96

[ "Ba", "In", "La", "Mn", "O" ]

40

A6BCDE

BaInLaMnO6

Ba4 In4 La4 Mn4 O24

5

[ 1, 1, 1 ]

3

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mp-697820

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

[ "Ba", "Ba", "Ba", "Ba", "La", "La", "La", "La", "Mn", "Mn", "Mn", "Mn", "In", "In", "In", "In", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-11-29 00:46:03

[ 0.1, 0.1, 0.1, 0.1, 0.6 ]

[]

-275.798916

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[]

12.094

4.58276

pbe

true

31d64e848a8d49275ee1d2fe49cbb68e_53_Ba4La4Mn4In4O24

[ "Al", "Ba", "Mn", "O" ]

14

A8B3C2D

AlBa2Mn3O8

Ba2 Mn3 Al1 O8

4

[ 1, 1, 1 ]

3

[ [ 3.88379589, 0, 0 ], [ 0, 3.88379589, 0 ], [ 0, 0, 11.747133 ] ]

agm005253891

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

[ "Ba", "Ba", "Mn", "Mn", "Mn", "Al", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.07142857142857142, 0.14285714285714285, 0.21428571428571427, 0.5714285714285714 ]

[ [ 0.8610132, 0, 0 ], [ 0, 0.8610132, 0 ], [ 0, 0, 0.98753554 ] ]

-96.87744

[ 0.006, 0.006, 4.136, 3.604, 4.136, 0.024, -0.058, -0.058, -0.046, -0.005, -0.058, -0.058, -0.005, -0.046 ]

[ [ 0, 0, -0.00112309 ], [ 0, 0, 0.00112309 ], [ 0, 0, -0.00281213 ], [ 0, 0, 0 ], [ 0, 0, 0.00281213 ], [ 0, 0, 0 ], [ 0, 0, 0.00146737 ], [ 0, 0, 0.00146737 ], [ 0, 0, 0 ], [ 0, 0, -0.00465651 ], [ 0, 0, -0.00146737 ], [ 0, 0, -0.00146737 ], [ 0, 0, 0.00465651 ], [ 0, 0, 0 ] ]

11.999946

1.913639

pbe

true

5bf4d0feba986dfc324d2d18761a446f_123_Ba2Mn3Al1O8

[ "Bi", "Mg", "Ti" ]

5

A3BC

BiMg3Ti

Mg3 Ti1 Bi1

3

[ 1, 1, 1 ]

3

[ [ 5.31979703, 0, 0 ], [ 0, 5.31979703, 0 ], [ 0, 0, 5.31979703 ] ]

agm002522806

[ [ 0, 2.659898515, 0 ], [ 0, 0, 2.659898515 ], [ 2.659898515, 0, 0 ], [ 2.659898515, 2.659898515, 2.659898515 ], [ 0, 0, 0 ] ]

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

[ "Mg", "Mg", "Mg", "Bi", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.47702, 0, 0 ], [ 0, 0.47702, 0 ], [ 0, 0, 0.47702 ] ]

-12.29191

[ 0.035, 0.003, 0.051, -0.15, 1.761 ]

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

2.427617

5.265184

pbe

true

2db224502d9b15848c66467dabbddc18_221_Mg3Ti1Bi1

[ "Ba", "Ir", "Lu", "O", "Ru" ]

30

A9B3CDE

Ba3IrLuO9Ru

Ba6 Ir2 Lu2 O18 Ru2

5

[ 1, 1, 1 ]

3

[ [ -2.95623074, -5.12098803, 0 ], [ -5.91246246, 0, 0 ], [ 0, 0, -14.57048947 ] ]

mp-1228300

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Lu", "Lu", "Ir", "Ir", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-13 04:01:45

[ 0.2, 0.06666666666666667, 0.06666666666666667, 0.6, 0.06666666666666667 ]

[ [ -2.90516768, 3e-7, 0 ], [ 3e-7, -3.19480805, 0 ], [ 0, 0, -4.005729 ] ]

-211.862248

[ 0.006, 0.001, 0.006, 0.001, 0.008, 0.008, -0.008, -0.008, 0.02, 0.02, 1.141, 1.141, 0.101, 0.096, 0.092, 0.003, 0.004, 0.006, 0.101, 0.096, 0.092, 0.003, 0.004, 0.006, 0.074, 0.072, 0.071, 0.074, 0.072, 0.071 ]

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3.374

3.797471

pbe

true

b655998b4211ce98b64e1859f83bedae_186_Ba6Lu2Ir2Ru2O18

[ "Bi", "Mg", "Tm" ]

4

A2BC

BiMg2Tm

Tm1 Mg2 Bi1

3

[ 1, 1, 1 ]

3

[ [ 4.93730474, 0, 0 ], [ 0, 4.5487523, 0 ], [ 0, 0, 4.5487523 ] ]

agm001213507

[ [ 0, 0, 2.27437615 ], [ 0, 2.27437615, 0 ], [ 2.46865237, 2.27437615, 2.27437615 ], [ 2.46865237, 0, 0 ] ]

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

[ "Mg", "Mg", "Tm", "Bi" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.35940984, 0, 0 ], [ 0, -0.20202367, 0 ], [ 0, 0, -0.20202367 ] ]

-12.724694

[ 0, 0, 0, 0 ]

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

-0.000075

2.35453

pbe

true

e38bcd0bb68ec3ce9d1e22b18e931078_123_Tm1Mg2Bi1

[ "Bi", "Mo", "S" ]

8

A2BC

Bi2MoS

Bi4 Mo2 S2

3

[ 1, 1, 1 ]

3

[ [ 6.35638659, 0, 0 ], [ 0, 6.35638659, 0 ], [ 3.17819329, 3.17819329, 6.40344675 ] ]

agm002884020

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

[ "S", "S", "Mo", "Mo", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.7680149, 0, 0 ], [ 0, 0.7680149, 0 ], [ 0, 0, 0.8788357 ] ]

-38.949724

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00374305, 0, 0 ], [ 0.00374305, 0, 0 ], [ 0, 0.00374305, 0 ], [ 0, -0.00374305, 0 ] ]

0.000003

3.64765

pbe

true

d6f4ed06b43142125d0f2595f647a08f_122_Bi4Mo2S2

[ "Bi", "Mo", "Ti" ]

4

A2BC

BiMoTi2

Ti2 Bi1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 3.68659505, 0, 0 ], [ 0, 4.43159929, 0 ], [ 0, 0, 4.43159929 ] ]

agm001242103

[ [ 1.843297525, 2.215799645, 2.215799645 ], [ 1.843297525, 0, 0 ], [ 0, 0, 2.215799645 ], [ 0, 2.215799645, 0 ] ]

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

[ "Mo", "Bi", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.855754, 0, 0 ], [ 0, 4.15156, 0 ], [ 0, 0, 4.15156 ] ]

-30.46205

[ -0.001, 0, 0.001, 0.001 ]

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

0.002089

4.598488

pbe

true

1c6a51d9188bebd064e237e21a6032e2_123_Ti2Bi1Mo1

[ "Ba", "K", "O", "S", "Ti" ]

64

A20B6C4DE

BaK4OS20Ti6

Ba2 K8 O2 S40 Ti12

5

[ 1, 1, 1 ]

3

[ [ -4.77627154, -8.27274531, 0 ], [ -9.55241159, -0.00007652, -0.00001696 ], [ -0.00003217, 0.00001858, -18.69211165 ] ]

mp-1224564

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

[ "K", "K", "K", "K", "K", "K", "K", "K", "Ba", "Ba", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "O", "O" ]

2019-01-13 00:47:51

[ 0.03125, 0.125, 0.03125, 0.625, 0.1875 ]

[ [ -0.78633926, 0.00752026, -0.00565184 ], [ 0.00752026, -0.77765556, 0.00326309 ], [ -0.00565175, 0.00326304, 0.00218869 ] ]

-361.60936

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A2BC

As2KOs

K1 As2 Os1

3

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3

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agm003793632

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2023-11-16 06:57:59

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48

A32B8C3D3E2

Ba2La3Li3Mo8O32

Ba2 La3 Li3 Mo8 O32

5

[ 1, 1, 1 ]

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mp-1228731

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2019-01-13 04:24:35

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[ "Ba", "La", "Mg", "Nb", "O" ]

60

A36B9C7D5E3

Ba3La9Mg7Nb5O36

Ba3 La9 Mg7 Nb5 O36

5

[ 1, 1, 1 ]

3

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mp-695278

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2013-11-30 11:01:25

[ 0.05, 0.15, 0.11666666666666667, 0.08333333333333333, 0.6 ]

[]

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[]

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pbe

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[ "N", "Zn", "Zr" ]

4

A2BC

N2ZnZr

Zr1 Zn1 N2

3

[ 1, 1, 1 ]

3

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[ "Zn", "Zr", "N", "N" ]

2023-11-16 06:57:59

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[ "As", "La", "Te" ]

4

A2BC

As2LaTe

La1 Te1 As2

3

[ 1, 1, 1 ]

3

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agm004028151

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[ "As", "As", "Te", "La" ]

2023-11-16 06:57:59

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a2c7d7f84ef106040c9015c31c953659_123_La1Te1As2

[ "Ba", "La", "Mn", "O", "Sn" ]

30

A18B5C4D2E

Ba2La4Mn5O18Sn

Ba2 La4 Mn5 O18 Sn1

5

[ 1, 1, 1 ]

3

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mp-743694

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[ "Ba", "Ba", "La", "La", "La", "La", "Mn", "Mn", "Mn", "Mn", "Mn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-01-19 08:22:55

[ 0.06666666666666667, 0.13333333333333333, 0.16666666666666666, 0.6, 0.03333333333333333 ]

[]

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[]

18.52

6.027979

pbe

true

bd679167279c9fc1f7fd9cac7c2448f9_1_Ba2La4Mn5Sn1O18

[ "Ba", "La", "Mn", "O", "W" ]

29

A18B3C3D3E2

Ba3La3Mn2O18W3

Ba3 La3 Mn2 O18 W3

5

[ 1, 1, 1 ]

3

[ [ 5.65116285, -0.03531688, 13.10324298 ], [ 2.67667444, 4.97717819, 13.10324298 ], [ -0.05951466, -0.03531688, 14.26979584 ] ]

mp-684803

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

[ "Ba", "Ba", "Ba", "La", "La", "La", "Mn", "Mn", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-12-16 18:54:46

[ 0.10344827586206896, 0.10344827586206896, 0.06896551724137931, 0.6206896551724138, 0.10344827586206896 ]

[]

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[]

10.63

5.321126

pbe

true

8b44976d42973a2359dce1223c0b7a89_160_Ba3La3Mn2W3O18

[ "Ba", "Li", "Nb", "O", "Ti" ]

66

A21B5C3D3E

Ba3LiNb3O21Ti5

Ba6 Li2 Nb6 O42 Ti10

5

[ 1, 1, 1 ]

3

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mp-766208

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Li", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "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" ]

2014-02-15 23:13:37

[ 0.09090909090909091, 0.030303030303030304, 0.09090909090909091, 0.6363636363636364, 0.15151515151515152 ]

[]

-554.484037

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[]

0

2.945948

pbe

true

c106c65351a5dc995e4fb2ca015e7c68_36_Ba6Li2Ti10Nb6O42

[ "Bi", "N", "Th" ]

5

A2B2C

BiN2Th2

Bi1 N2 Th2

3

[ 1, 1, 1 ]

3

[ [ 3.92293429, 0, -1.12446183 ], [ -0.32231343, 3.90967102, -1.12446183 ], [ 0.06836676, 0.07423485, 7.64375632 ] ]

mp-27469

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

[ "N", "N", "Bi", "Th", "Th" ]

2014-02-19 20:14:20

[ 0.2, 0.4, 0.4 ]

[ [ -0.30746292, -0.01080803, -0.03472562 ], [ -0.01080803, -0.30924495, -0.03770621 ], [ -0.03472562, -0.03770621, -0.41865726 ] ]

-42.943114

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null

6.585088

pbe

true

ebe9777d7cea69404c129fc53883671e_139_Th2Bi1N2

[ "Ba", "Li", "O", "Ta", "Ti" ]

66

A21B5C3D3E

Ba3LiO21Ta3Ti5

Ba6 Li2 O42 Ta6 Ti10

5

[ 1, 1, 1 ]

3

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mp-677212

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2013-11-16 21:44:38

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[]

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true

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A2BCD

AsAuC2P

As1 P1 Au1 C2

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2023-11-16 06:57:59

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true

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A2BC

AsLiPb2

Li1 As1 Pb2

3

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3

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agm004228864

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[ "As", "Li", "Pb", "Pb" ]

2023-11-16 06:57:59

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066ae0e2d18835e77edc584926ff3f13_123_Li1As1Pb2

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A32B8C3D3E2

Ba2Li3O32W8Y3

Ba2 Li3 O32 W8 Y3

5

[ 1, 1, 1 ]

3

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mp-1228802

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2019-01-13 04:28:22

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0

1.584069

pbe

true

273f3b607b323338671d7f82526d20a3_1_Ba2Li3Y3W8O32

[ "Ba", "Mg", "Ni", "O", "Tl" ]

23

A12B4C3D2E2

Ba2Mg3Ni4O12Tl2

Ba2 Mg3 Ni4 O12 Tl2

5

[ 1, 1, 1 ]

3

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mp-1813181

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2014-02-22 12:07:10

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agm004469379

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2023-11-16 06:57:59

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A7B5

Sc5Tm7

Tm7 Sc5

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agm005538298

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[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Sc", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

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0.00002

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AsLiTc

As1 Li1 Tc1

3

[ 1, 1, 1 ]

3

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oqmd-3740240

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[ "As", "Li", "Tc" ]

2024-11-01 00:00:00

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true

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[ "Ba", "Na", "Nb", "O", "Ti" ]

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A30B7C7D3E3

Ba3Na7Nb7O30Ti3

Ba3 Na7 Nb7 O30 Ti3

5

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3

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mp-676975

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2013-11-15 15:13:38

[ 0.06, 0.14, 0.14, 0.6, 0.06 ]

[]

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[]

0

2.772116

pbe

true

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[ "As", "Lu", "Re" ]

3

ABC

AsLuRe

As1 Lu1 Re1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.109666, 3.109666 ], [ 3.109666, 0, 3.109666 ], [ 3.109666, 3.109666, 0 ] ]

oqmd-3058677

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[ "As", "Lu", "Re" ]

2024-11-01 00:00:00

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-21.2594

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1.29521

null

pbe

true

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[ "Ba", "Nd", "Ni", "O", "Sb" ]

20

A6BCDE

BaNdNiO6Sb

Ba2 Nd2 Ni2 Sb2 O12

5

[ 1, 1, 1 ]

3

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agm005275837

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

[ "Ba", "Ba", "Nd", "Nd", "Ni", "Ni", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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Ba1 O15 Pb4 Ti3 Zr2

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2019-01-13 03:44:55

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Ba18O54Pr9Sb5Sn4

Ba18 O54 Pr9 Sb5 Sn4

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2013-12-01 04:21:07

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A12B3C2D2E

BaO12Re2Sr3Yb2

Ba1 Sr3 Yb2 Re2 O12

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2023-11-16 06:57:59

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[ "As", "As", "As", "As", "Nd", "Nd", "Nd", "Nd", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

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true

d3f8a88f906a393ce5723518fad783dc_62_Nd4Ti4As4

[ "As", "Cs", "I", "Na" ]

10

A6B2CD

AsCs2I6Na

Cs2 Na1 As1 I6

4

[ 1, 1, 1 ]

3

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agm002225561

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[ "Cs", "Cs", "I", "I", "I", "I", "I", "I", "As", "Na" ]

2023-11-16 06:57:59

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[ "Bi", "Nb", "Pd" ]

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A3BC

Bi3NbPd

Nb1 Bi3 Pd1

3

[ 1, 1, 1 ]

3

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agm002551736

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[ "Nb", "Bi", "Bi", "Bi", "Pd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

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2.759442

4.246027

pbe

true

75316a1ad87f47608fe411bdb13c0e6e_221_Nb1Bi3Pd1

[ "Ba", "O", "Sr", "Tb", "W" ]

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A6BCDE

BaO6SrTbW

Ba2 O12 Sr2 Tb2 W2

5

[ 1, 1, 1 ]

3

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mp-1518778

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[ "Ba", "Ba", "Sr", "Sr", "Tb", "Tb", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-05-08 01:10:47

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1.993

3.42906

pbe

true

a2d2b2e17b391c181dfc576d5bc35b1c_2_Ba2Sr2Tb2W2O12

[ "Bi", "Nb", "Ru" ]

4

A2BC

BiNbRu2

Nb1 Bi1 Ru2

3

[ 1, 1, 1 ]

3

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agm001810603

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[ "Ru", "Ru", "Nb", "Bi" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-0.001837

2.840059

pbe

true

d1350dc2aeb61cf33c80a8a89ea9f0eb_123_Nb1Bi1Ru2

[ "Ba", "O", "Ta", "Ti", "Zn" ]

40

A12B4C2DE

Ba4O12Ta2TiZn

Ba8 O24 Ta4 Ti2 Zn2

5

[ 1, 1, 1 ]

3

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mp-676665

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ta", "Ta", "Ta", "Ta", "Ti", "Ti", "Zn", "Zn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-11-15 18:42:37

[ 0.2, 0.6, 0.1, 0.05, 0.05 ]

[]

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[]

0

2.453176

pbe

true

da7a8554a6eaca99d2b377c6db073c65_141_Ba8Ta4Ti2Zn2O24

[ "Be", "Br", "C", "H", "N" ]

84

A12B4C3DE

BeBr3C4H12N

Be4 H48 C16 Br12 N4

5

[ 1, 1, 1 ]

3

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agm001234254

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2023-11-16 06:57:59

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0.148868

0

pbe

true

9c9915aabdbf87afa7f250bfddc24491_1_Be4H48C16Br12N4

[ "Be", "Ca", "H", "O", "P" ]

78

A20B10C4D3E2

Be2Ca3H10O20P4

Be4 Ca6 H20 O40 P8

5

[ 1, 1, 1 ]

3

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mp-707876

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

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2014-06-03 11:57:24

[ 0.05128205128205128, 0.07692307692307693, 0.2564102564102564, 0.5128205128205128, 0.10256410256410256 ]

[]

-497.858397

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[]

0

0.84381

pbe

true

ebc0ecd881ab204abd61cc0903ac0d83_14_Ca6Be4P8H20O40

[ "Be", "Cl", "Na", "O", "Si" ]

46

A24B9C8D3E2

Be3Cl2Na8O24Si9

Be3 Cl2 Na8 O24 Si9

5

[ 1, 1, 1 ]

3

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mp-40201

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2019-10-22 20:26:42

[ 0.06521739130434782, 0.043478260869565216, 0.17391304347826086, 0.5217391304347826, 0.1956521739130435 ]

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[ "Bi", "Nb", "Ti" ]

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A2B2C

BiNb2Ti2

Ti4 Nb4 Bi2

3

[ 1, 1, 1 ]

3

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agm003023312

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

[ "Nb", "Nb", "Nb", "Nb", "Bi", "Bi", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

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0

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pbe

true

4bbb0ee2fe0a9b1e9a536a896a274e87_127_Ti4Nb4Bi2

[ "Be", "F", "H", "Li", "N" ]

52

A5B4C2DE

BeF4H5LiN2

Be4 F16 H20 Li4 N8

5

[ 1, 1, 1 ]

3

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mp-721303

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

[ "Li", "Li", "Li", "Li", "Be", "Be", "Be", "Be", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "N", "N", "N", "N", "N", "N", "N", "N", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2014-03-05 16:53:53

[ 0.07692307692307693, 0.3076923076923077, 0.38461538461538464, 0.07692307692307693, 0.15384615384615385 ]

[]

-269.546754

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[]

0

-0.375483

pbe

true

fd80f0f67a8672d3b0cd412ef286d954_33_Li4Be4H20N8F16

[ "Cu", "La", "Nd", "Pt", "Si" ]

11

A4B2C2D2E

Cu2La2NdPt2Si4

Cu2 La2 Nd1 Pt2 Si4

5

[ 1, 1, 1 ]

3

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oqmd-10016259

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

[ "Cu", "Cu", "La", "La", "Nd", "Pt", "Pt", "Si", "Si", "Si", "Si" ]

2024-11-01 00:00:00

[ 0.18181818181818185, 0.18181818181818185, 0.09090909090909093, 0.18181818181818185, 0.3636363636363637 ]

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-64.8991

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0.032012

null

pbe

true

91296db7e86a2ba46405c4dceaa4986d_71_La2Nd1Cu2Si4Pt2

[ "Se", "Tb" ]

12

A7B5

Se7Tb5

Tb5 Se7

2

[ 1, 1, 1 ]

3

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agm002239668

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

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.5833333333333334, 0.4166666666666667 ]

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-69.995131

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A19B13C3D3E2

Be3H13Mg2O19P3

Be6 H26 Mg4 O38 P6

5

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mp-1198243

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[ "Mg", "Mg", "Mg", "Mg", "Be", "Be", "Be", "Be", "Be", "Be", "P", "P", "P", "P", "P", "P", "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", "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" ]

2019-04-18 21:37:39

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-484.632736

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0

0.210495

pbe

true

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[ "Ca", "Er", "Ir", "O" ]

10

A6B2CD

Ca2ErIrO6

Ca2 Er1 Ir1 O6

4

[ 1, 1, 1 ]

3

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agm002298610

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[ "Ca", "Ca", "Ir", "O", "O", "O", "O", "O", "O", "Er" ]

2023-11-16 06:57:59

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1.655316

4.287456

pbe

true

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[ "Na", "Rb", "S" ]

12

ABC

NaRbS

Rb4 Na4 S4

3

[ 1, 1, 1 ]

3

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agm002166265

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

[ "Na", "Na", "Na", "Na", "S", "S", "S", "S", "Rb", "Rb", "Rb", "Rb" ]

2023-11-16 06:57:59

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-38.153825

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0

pbe

true

5eda518bdf04fa60e7160b208ad84ab2_62_Rb4Na4S4

[ "Bi", "C", "Na", "O", "S" ]

54

A16B4C4D2E

Bi2C4Na4O16S

Bi4 C8 Na8 O32 S2

5

[ 1, 1, 1 ]

3

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mp-776348

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

[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Bi", "Bi", "Bi", "Bi", "C", "C", "C", "C", "C", "C", "C", "C", "S", "S", "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" ]

2014-02-21 19:33:55

[ 0.07407407407407407, 0.14814814814814814, 0.14814814814814814, 0.5925925925925926, 0.037037037037037035 ]

[]

-348.427267

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[]

0

1.6899

pbe

true

b9d417e29667f496860a208858566adb_1_Na8Bi4C8S2O32

[ "Al", "Re" ]

17

A13B4

Al4Re13

Al4 Re13

2

[ 1, 1, 1 ]

3

[ [ 8.726351257, -2.150723153, 0 ], [ 8.726351257, 2.150723153, 0 ], [ -3.568668106, 0, 7.088688088 ] ]

oqmd-8169990

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

[ "Al", "Al", "Al", "Al", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re", "Re" ]

2024-11-01 00:00:00

[ 0.2352941176470588, 0.7647058823529411 ]

[ [ 9.66526145, 0, -0.36249665 ], [ 0, 9.84459968, 0 ], [ -0.36249665, 0, 6.68264777 ] ]

-174.135

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

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-0.010228

null

pbe

true

ed072425449c7ba3a0db01c286b0ab7a_12_Al4Re13

[ "Al", "Rh" ]

3

A2B

AlRh2

Al1 Rh2

2

[ 1, 1, 1 ]

3

[ [ 4.05404045, 0, 0 ], [ 0, 4.05404045, 0 ], [ 0, 0, 2.9080749 ] ]

agm003811530

[ [ 0, 2.027020225, 1.45403745 ], [ 2.027020225, 0, 1.45403745 ], [ 0, 0, 0 ] ]

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

[ "Rh", "Rh", "Al" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 9.53309, 0, 0 ], [ 0, 9.53309, 0 ], [ 0, 0, 9.719315 ] ]

-18.984516

[ 0, 0, 0 ]

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

0.000823

3.684396

pbe

true

3511e126ce5bb238568e7ed44f14303f_123_Al1Rh2

[ "Al", "Ru" ]

4

A3B

AlRu3

Al1 Ru3

2

[ 1, 1, 1 ]

3

[ [ 4.95499811, 0.00213665, 0.00670083 ], [ -2.22369317, 4.42800175, 0.00670083 ], [ -2.22369317, -3.60679921, 2.5687047 ] ]

agm004424408

[ [ 1.36565247, -1.80233128, 1.2877027650000001 ], [ 1.36565247, 2.2150692, 0.00670083 ], [ -2.22369317, 0.4106012699999999, 1.2877027650000001 ], [ 0, 0, 0 ] ]

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

[ "Ru", "Ru", "Ru", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 8.378891, 0.02176066, 0.06824447 ], [ 0.02176066, 8.40077, 0.11069157 ], [ 0.06824447, 0.11069157, 8.712619 ] ]

-31.326783

[ 0.001, 0.001, 0.001, 0 ]

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

0.00227

5.948744

pbe

true

9e9c638f4911be11d24461c22999eed7_166_Al1Ru3

[ "As", "Ni", "Np" ]

9

A4B3C2

As4Ni2Np3

Np3 Ni2 As4

3

[ 1, 1, 1 ]

3

[ [ 3.9362523, 0, 0 ], [ -1.96812616, 6.13786032, -0.89389311 ], [ 0, -3.94896214, 7.60471358 ] ]

agm003339344

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

[ "Np", "Np", "Np", "Ni", "Ni", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.2222222222222222, 0.3333333333333333 ]

[ [ -2.254655, 0, 0 ], [ 0, -2.0976024, -0.1381814 ], [ 0, -0.1381809, -2.2526786 ] ]

-73.760904

[ 1.596, 3.466, 1.596, -0.102, -0.102, -0.092, -0.092, -0.046, -0.046 ]

[ [ 0, -0.00438646, 0.00172681 ], [ 0, 0, 0 ], [ 0, 0.00438646, -0.00172681 ], [ 0, 0.01036474, 0.00446047 ], [ 0, -0.01036474, -0.00446047 ], [ 0, -0.00088503, -0.00060267 ], [ 0, 0.00088503, 0.00060267 ], [ 0, 0.00045783, -0.00029406 ], [ 0, -0.00045783, 0.00029406 ] ]

6.344919

17.584116

pbe

true

1100139ed0e75d7790c50133c2b138d9_12_Np3Ni2As4

[ "Bi", "Ca", "La", "O", "Sr" ]

20

A6BCDE

BiCaLaO6Sr

Bi2 Ca2 La2 O12 Sr2

5

[ 1, 1, 1 ]

3

[ [ 5.90678023, -0.00419419, -0.00023127 ], [ 0.0044123, 6.12879724, -0.00452795 ], [ 0.01266137, 0.00612433, 8.51657113 ] ]

mp-1519157

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

[ "Sr", "Sr", "Ca", "Ca", "La", "La", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-05-08 04:46:21

[ 0.1, 0.1, 0.1, 0.6, 0.1 ]

[ [ 2.37544092, -0.01425788, -0.38770471 ], [ -0.01425781, -0.39330797, -0.01116351 ], [ -0.38770484, -0.01116364, 0.3702826 ] ]

-133.002893

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0

3.294945

pbe

true

d45460d1a4a232742b324e0f9c3c953b_7_Sr2Ca2La2Bi2O12

[ "Na", "Sc", "Zn" ]

4

A2BC

NaSc2Zn

Na1 Sc2 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.542959, 3.542959 ], [ 3.542959, 0, 3.542959 ], [ 3.542959, 3.542959, 0 ] ]

oqmd-2364053

[ [ 1.771479999999997, 1.771479999999997, 1.771479999999997 ], [ 0, 0, 0 ], [ 5.314439999999998, 5.314439999999998, 5.314439999999998 ], [ 3.542960000000001, 3.542960000000001, 3.542960000000001 ] ]

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

[ "Na", "Sc", "Sc", "Zn" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 5.88654, 0, 0 ], [ 0, 5.88654, 0 ], [ 0, 0, 5.88654 ] ]

-14.0236

[ 0.001, 0.283, 0.237, 0.001 ]

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

0.789092

null

pbe

true

a05cb5c682d3ae82093137c6926e619f_216_Na1Sc2Zn1

[ "Bi", "Ca", "O", "Sr", "Tb" ]

40

A6BCDE

BiCaO6SrTb

Bi4 Ca4 O24 Sr4 Tb4

5

[ 1, 1, 1 ]

3

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mp-1520661

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2020-05-08 07:16:33

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0

2.253243

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true

b5eb2eb8c2e12074ae5ae05014a9018b_16_Sr4Ca4Tb4Bi4O24

[ "Bi", "Cl", "F", "H", "K" ]

44

A8B6C4D3E

BiCl8F4H3K6

Bi2 Cl16 F8 H6 K12

5

[ 1, 1, 1 ]

3

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mp-696998

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

[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Bi", "Bi", "H", "H", "H", "H", "H", "H", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "F", "F", "F", "F", "F", "F", "F", "F" ]

2014-05-02 23:48:15

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[]

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[]

0

-1.174478

pbe

true

a282f1802cd9da358dd3d9e105290fdc_186_K12Bi2H6Cl16F8

[ "Bi", "Cl", "K", "O", "S" ]

36

A4B2CDE

BiCl2KO4S

Bi4 Cl8 K4 O16 S4

5

[ 1, 1, 1 ]

3

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mp-23645

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[ "K", "K", "K", "K", "Bi", "Bi", "Bi", "Bi", "S", "S", "S", "S", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-07 22:05:00

[ 0.1111111111111111, 0.2222222222222222, 0.1111111111111111, 0.4444444444444444, 0.1111111111111111 ]

[]

-184.083731

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[]

0

-0.122513

pbe

true

55b237c9b0043a8d8f0abab5711dd760_19_K4Bi4S4Cl8O16

[ "Co", "Mg", "Mn" ]

4

A2BC

CoMg2Mn

Mg2 Mn1 Co1

3

[ 1, 1, 1 ]

3

[ [ 4.81086835, 0.01754965, -0.07085026 ], [ -1.58726541, 4.54151415, -0.07085026 ], [ 0.03417954, 0.0483393, 2.83156658 ] ]

agm003798087

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

[ "Co", "Mg", "Mg", "Mn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6906338, 0.04258411, 0.35263696 ], [ 0.04258411, 1.7207493, 0.49872592 ], [ 0.3526369, 0.49872583, 2.137238 ] ]

-18.478867

[ 1.337, -0.03, -0.03, 3.244 ]

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4.531822

2.811566

pbe

true

4ed84da1e20bd33c48626082d9690d18_65_Mg2Mn1Co1

[ "Co", "Mg", "Pa" ]

4

A2BC

CoMgPa2

Mg1 Pa2 Co1

3

[ 1, 1, 1 ]

3

[ [ 3.32048775, 0, 0 ], [ 1.66024388, 2.87562675, 0 ], [ 1.66024388, 0.95854225, 10.28697628 ] ]

agm002009778

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

[ "Mg", "Pa", "Pa", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4134701, 0, 0 ], [ 0, 1.4134701, 0 ], [ 0, 0, 1.5849416 ] ]

-26.739361

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00616503 ], [ 0, 0, 0.00616503 ], [ 0, 0, 0 ] ]

-0.000004

4.315892

pbe

true

482c8f0c632aa979b56d324840c93560_166_Mg1Pa2Co1

[ "Bi", "Cr", "Mo", "O", "Sr" ]

104

A34B12C4DE

Bi12CrMo4O34Sr

Bi24 Cr2 Mo8 O68 Sr2

5

[ 1, 1, 1 ]

3

[ [ 5.87921856, 0, 0 ], [ 0, 11.62775001, -2.43463503 ], [ 0, -0.00159719, 25.24782362 ] ]

mp-642974

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

[ "Sr", "Sr", "Cr", "Cr", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "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", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-06-28 16:25:16

[ 0.23076923076923078, 0.019230769230769232, 0.07692307692307693, 0.6538461538461539, 0.019230769230769232 ]

[]

-659.164797

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[]

0

3.226759

pbe

true

beaad079e49ac6b1c3d5578b49a72692_13_Sr2Cr2Bi24Mo8O68

[ "Bi", "Cu", "Dy", "O", "Sr" ]

30

A8B2C2D2E

Bi2Cu2DyO8Sr2

Sr4 Dy2 Cu4 Bi4 O16

5

[ 1, 1, 1 ]

3

[ [ 15.54383777, 0.02222519, 0 ], [ -14.57465321, 5.4028576, 0 ], [ 0, 0, 5.34665621 ] ]

agm003239031

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

[ "Sr", "Sr", "Sr", "Sr", "Dy", "Dy", "Cu", "Cu", "Cu", "Cu", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.13333333333333333, 0.13333333333333333, 0.06666666666666667, 0.5333333333333333, 0.13333333333333333 ]

[ [ 0.3549666, -0.02130568, 0 ], [ -0.02130568, 0.23951273, 0 ], [ 0, 0, 0.58696187 ] ]

-181.822286

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0.000009

6.144271

pbe

true

0c668916ba627532e7aa0406f6f32c2b_66_Sr4Dy2Cu4Bi4O16

[ "Al", "Cr", "O" ]

4

A2BC

Al2CrO

Al2 Cr1 O1

3

[ 1, 1, 1 ]

3

[ [ 0, 2.98968026, 2.98968026 ], [ 2.98968026, 0, 2.98968026 ], [ 2.98968026, 2.98968026, 0 ] ]

agm002718142

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

[ "Cr", "Al", "Al", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.5044787, 0, 0 ], [ 0, 2.5044787, 0 ], [ 0, 0, 2.5044787 ] ]

-16.677723

[ 1.299, -0.067, -0.067, -0.311 ]

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

0.778295

3.553975

pbe

true

d57235d01cddef376e555ed8c4cab89b_225_Al2Cr1O1

[ "Pb", "Pd", "Tb" ]

4

A2BC

PbPd2Tb

Tb1 Pd2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 3.78312012, 0, 0 ], [ 0, 4.71217332, 0 ], [ 0, 0, 4.71217332 ] ]

agm001219069

[ [ 1.89156006, 0, 0 ], [ 1.89156006, 2.35608666, 2.35608666 ], [ 0, 0, 2.35608666 ], [ 0, 2.35608666, 0 ] ]

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

[ "Pb", "Tb", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.1172786, 0, 0 ], [ 0, 4.766555, 0 ], [ 0, 0, 4.766555 ] ]

-21.110278

[ 0, 0, 0, 0 ]

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

-0.000004

3.092457

pbe

true

bc763fa87c26c2a580bdd02488c921a8_123_Tb1Pd2Pb1

[ "Al", "Dy", "Ir" ]

12

A3B2C

Al3Dy2Ir

Dy4 Al6 Ir2

3

[ 1, 1, 1 ]

3

[ [ 5.52587337, 0, 0 ], [ -2.76293669, 4.78554672, 0 ], [ 0, 0, 8.70227565 ] ]

agm002195719

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

[ "Ir", "Ir", "Al", "Al", "Al", "Al", "Al", "Al", "Dy", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ [ 2.0360086, 0, 0 ], [ 0, 2.0360086, 0 ], [ 0, 0, 0.44791523 ] ]

-67.644684

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00566202, 0.00326897, 0 ], [ 0, 0.00653793, 0 ], [ -0.00566202, -0.00326897, 0 ], [ 0.00566202, 0.00326897, 0 ], [ 0, -0.00653793, 0 ], [ 0.00566202, -0.00326897, 0 ], [ 0, 0, 0.03761826 ], [ 0, 0, 0.03761826 ], [ 0, 0, -0.03761826 ], [ 0, 0, -0.03761826 ] ]

0.000001

6.283263

pbe

true

298a215edea3d664449f0e53589b150b_194_Dy4Al6Ir2

[ "Al", "Sb" ]

6

AB

AlSb

Al3 Sb3

2

[ 1, 1, 1 ]

3

[ [ 1.75426276, 5.82566434, -0.07459085 ], [ -1.75426276, 5.82566434, -0.07459085 ], [ 0, 1.9720786, 7.01897645 ] ]

agm005420940

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

[ "Al", "Al", "Al", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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-22.582637

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

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0

2.760039

pbe

true

88dada63405548246f76c4830b1b01d3_8_Al3Sb3

[ "Bi", "Nb", "Rh" ]

10

A2B2C

BiNb2Rh2

Nb4 Bi2 Rh4

3

[ 1, 1, 1 ]

3

[ [ 7.86000573, 0, 0 ], [ 0, 7.86000573, 0 ], [ 0, 0, 3.03154013 ] ]

agm003002942

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

[ "Nb", "Nb", "Nb", "Nb", "Rh", "Rh", "Rh", "Rh", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

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-0.000001

9.456601

pbe

true

0719e19db1fa6d6a889aa10a6465bc8d_127_Nb4Bi2Rh4

[ "Pb", "Si", "Th" ]

3

ABC

PbSiTh

Pb1 Si1 Th1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.587390351, 3.587390351 ], [ 3.587390351, 0, 3.587390351 ], [ 3.587390351, 3.587390351, 0 ] ]

oqmd-5524035

[ [ 0, 0, 0 ], [ 1.793699999999998, 1.793699999999998, 1.793699999999998 ], [ 5.381089999999997, 5.381089999999997, 5.381089999999997 ] ]

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

[ "Pb", "Si", "Th" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.29030748, 0, 0 ], [ 0, 2.29030748, 0 ], [ 0, 0, 2.29030748 ] ]

-14.9806

[ -0.001, 0, -0.002 ]

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

-0.008725

null

pbe

true

5ea73da078513218395268b5eb54ec59_216_Th1Si1Pb1

[ "Cl", "I", "In" ]

4

A2BC

ClIIn2

In2 I1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.5846281, -0.00143288, -1.31360613 ], [ -2.47985868, 4.07365542, -0.00315659 ], [ -0.14325367, -0.07691897, 8.17057599 ] ]

agm005588644

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

[ "In", "In", "I", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.6615098, -0.03558197, -0.006499 ], [ -0.03558191, 1.6021035, -0.04026718 ], [ -0.00649882, -0.04026727, 1.4618144 ] ]

-11.344561

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0

-0.000014

pbe

true

f57dffc0ca179a28f17c5afc9a89464a_166_In2I1Cl1

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

4

A2BC

Co2MgSi

Mg1 Co2 Si1

3

[ 1, 1, 1 ]

3

[ [ 4.03320782, 0, 0 ], [ 2.01660391, 3.49286043, 0 ], [ 2.01660391, 1.16428681, 3.29310039 ] ]

agm002161304

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

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

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.2606546, 0, 0 ], [ 0, 1.2606546, 0 ], [ 0, 0, 1.2606546 ] ]

-22.498115

[ 0, 0.001, 0.001, 0 ]

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0.001254

1.915016

pbe

true

6ee6452770ec08a1c45d5c94fb4416b3_225_Mg1Co2Si1

[ "Cl", "I", "Ir" ]

5

A3BC

ClIIr3

Ir3 I1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.95395833, 0, 0 ], [ 0, 4.95395833, 0 ], [ 0, 0, 4.95395833 ] ]

agm002448630

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

[ "I", "Ir", "Ir", "Ir", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 0.83608323, 0, 0 ], [ 0, 0.83608323, 0 ], [ 0, 0, 0.83608323 ] ]

-18.853647

[ 0.019, 0.771, 0.687, 0.497, 0.229 ]

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

2.301029

15.85273

pbe

true

897a72d7ad1c2459c5098aae8e043170_221_Ir3I1Cl1

[ "Bi", "Eu", "Nb", "O", "Ti" ]

28

A9B2CDE

Bi2EuNbO9Ti

Eu2 Ti2 Nb2 Bi4 O18

5

[ 1, 1, 1 ]

3

[ [ 5.51794947, 0, 0 ], [ 0, 5.46908201, -0.00207391 ], [ 0, 2.63182091, 12.73291745 ] ]

agm005222226

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

[ "Eu", "Eu", "Ti", "Ti", "Nb", "Nb", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-224.909991

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11.929113

18.041666

pbe

true

6c02d5c36fdb7ffd78f88ac3dc8a2b8a_4_Eu2Ti2Nb2Bi4O18

[ "Bi", "Fe", "Mn", "Nd", "O" ]

20

A6BCDE

BiFeMnNdO6

Bi2 Fe2 Mn2 Nd2 O12

5

[ 1, 1, 1 ]

3

[ [ 0, -0.17892387, 3.96630246 ], [ 7.44556238, 0, 0 ], [ 0, 9.27296202, -0.43031466 ] ]

mp-1221020

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

[ "Nd", "Nd", "Mn", "Mn", "Fe", "Fe", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 21:46:36

[ 0.1, 0.1, 0.1, 0.1, 0.6 ]

[ [ 0.50244096, 0, 0 ], [ 0, 0.47908717, 0.40147691 ], [ 0, 0.40147634, -0.40547113 ] ]

-138.102205

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17.51

4.111314

pbe

true

c12656811b281964767fe4b9f443e550_4_Nd2Mn2Fe2Bi2O12

[ "Bi", "Fe", "O", "Sr", "Ti" ]

20

A12B3C3DE

Bi3Fe3O12SrTi

Bi3 Fe3 O12 Sr1 Ti1

5

[ 1, 1, 1 ]

3

[ [ -2.8167834, -4.87881191, -1e-8 ], [ 5.63356687, 4e-8, 0 ], [ -3e-8, 3.25254162, 9.31972536 ] ]

mp-1217793

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

[ "Sr", "Ti", "Fe", "Fe", "Fe", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 19:04:13

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-133.263891

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14.714

4.362706

pbe

true

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28

A9B2CDE

Bi2GdNbO9Ti

Gd2 Ti2 Nb2 Bi4 O18

5

[ 1, 1, 1 ]

3

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agm003234841

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2023-11-16 06:57:59

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13.980935

0

pbe

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[ "Pd", "S", "Y" ]

4

A2BC

PdS2Y

Y1 Pd1 S2

3

[ 1, 1, 1 ]

3

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agm002729532

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[ "Y", "S", "S", "Pd" ]

2023-11-16 06:57:59

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7.322315

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true

416571253cacb1235514676f7fe8f6be_225_Y1Pd1S2

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5

ABCDE

BiIrNPS

Bi1 P1 Ir1 S1 N1

5

[ 1, 1, 1 ]

3

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agm002106060

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[ "Bi", "P", "Ir", "S", "N" ]

2023-11-16 06:57:59

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1.140724

pbe

true

0b8604f347d52176c7adb727bde98dbe_25_Bi1P1Ir1S1N1

[ "Bi", "K", "Na", "O", "Ti" ]

20

A12B4C2DE

Bi2KNaO12Ti4

K1 Na1 Ti4 Bi2 O12

5

[ 1, 1, 1 ]

3

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agm003225194

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2023-11-16 06:57:59

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0

pbe

true

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[ "Bi", "K", "O", "P", "W" ]

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A8B2CDE

BiK2O8PW

Bi4 K8 O32 P4 W4

5

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3

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mp-561230

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[ "K", "K", "K", "K", "K", "K", "K", "K", "Bi", "Bi", "Bi", "Bi", "P", "P", "P", "P", "W", "W", "W", "W", "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" ]

2014-02-18 10:48:09

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[]

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[]

0

0.371247

pbe

true

04a78d8d750343cdb523f83db0e326d0_73_K8Bi4P4W4O32

[ "Bi", "Li", "Mn", "O", "P" ]

40

A24B6C5D3E2

Bi2Li5Mn3O24P6

Bi2 Li5 Mn3 O24 P6

5

[ 1, 1, 1 ]

3

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mp-775601

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[ "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Bi", "Bi", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-21 01:07:58

[ 0.05, 0.125, 0.075, 0.6, 0.15 ]

[]

-273.829923

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[]

13.436

2.187911

pbe

true

ac12073add1ad09f8d55d6897838ce65_1_Li5Mn3Bi2P6O24

[ "Bi", "La", "Nd" ]

4

A2BC

Bi2LaNd

La1 Nd1 Bi2

3

[ 1, 1, 1 ]

3

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agm003614450

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

[ "La", "Nd", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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0.584215

pbe

true

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[ "Ce", "Na", "O", "Sr", "W" ]

10

A6BCDE

CeNaO6SrW

Na1 Sr1 Ce1 W1 O6

5

[ 1, 1, 1 ]

3

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agm005255681

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

[ "Na", "Sr", "Ce", "W", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.1, 0.1 ]

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-71.182203

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1.018578

5.913733

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true

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[ "Br", "C", "Cd", "H", "N" ]

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A12B4C3DE

Br3C4CdH12N

Br18 C24 Cd6 H72 N6

5

[ 1, 1, 1 ]

3

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mp-567467

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2014-02-22 21:32:10

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[]

-590.286367

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[]

0

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fa5a6f86b396c0c2ee7d5f0f799a3a2c_169_Cd6H72C24Br18N6

[ "Br", "C", "Co", "N", "O" ]

40

A4B3CDE

BrCCoN4O3

Br4 C4 Co4 N16 O12

5

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3

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mp-1201319

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2019-01-12 05:33:38

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12.072

1.327476

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a7a01477f479b9fe5ef4b35b6c69e98e_62_Co4C4Br4N16O12

[ "Br", "C", "Eu", "Li", "N" ]

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A3B2C2DE

Br3CEu2LiN2

Li4 Eu8 C4 Br12 N8

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3

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agm003244991

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2023-11-16 06:57:59

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2014-05-17 02:03:23

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Nd1 Bi2 Pd8

3

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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oqmd-10043147

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

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2024-11-01 00:00:00

[ 0.14814814814814814, 0.14814814814814814, 0.5925925925925926, 0.07407407407407407, 0.037037037037037035 ]

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-503.392

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null

pbe

true

83625ae0f4126e96cc21ff43bde7aa99_14_Zn4H64C16Br16N8

[ "Se", "Ti" ]

8

A3B

Se3Ti

Ti2 Se6

2

[ 1, 1, 1 ]

3

[ [ 3.57072105, 0, 0 ], [ 0, 5.34812825, -0.01546555 ], [ 0, -1.04425618, 9.82029398 ] ]

agm002191416

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

[ "Se", "Se", "Se", "Se", "Se", "Se", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 2.0166519, 0, 0 ], [ 0, 1.439522, -0.08090213 ], [ 0, -0.08090276, 0.24699773 ] ]

-43.287971

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

[ [ 0, 0.01758695, 0.00544779 ], [ 0, -0.01758695, -0.00544779 ], [ 0, 0.00629567, 0.00994587 ], [ 0, -0.00629567, -0.00994587 ], [ 0, 0.01593119, -0.00824125 ], [ 0, -0.01593119, 0.00824125 ], [ 0, 0.00255366, -0.00508091 ], [ 0, -0.00255366, 0.00508091 ] ]

0

0.101493

pbe

true

7300e50a0d254fff137bbf263760d824_11_Ti2Se6

[ "Bi", "O", "Sb" ]

4

A2BC

BiO2Sb

Bi1 Sb1 O2

3

[ 1, 1, 1 ]

3

[ [ 2.04903873, 0, 6.98956388 ], [ -1.02451937, 1.7745196, 6.98956388 ], [ -1.02451937, -1.7745196, 6.98956388 ] ]

agm002775272

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

[ "Sb", "Bi", "O", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 26.657873, 0, 0 ], [ 0, 26.657873, 0 ], [ 0, 0, 25.6806 ] ]

-21.25971

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00817808 ], [ 0, 0, 0.00817808 ] ]

0

0.838141

pbe

true

dd9a5ccf4a84f24a9d50dd2125a81f50_166_Bi1Sb1O2

[ "Bi", "O", "Si" ]

4

A2BC

BiOSi2

Si2 Bi1 O1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.28875452, 3.28875452 ], [ 3.28875452, 0, 3.28875452 ], [ 3.28875452, 3.28875452, 0 ] ]

agm002719009

[ [ 1.64437726, 1.64437726, 1.64437726 ], [ 4.93313178, 4.93313178, 4.93313178 ], [ 3.28875452, 3.28875452, 3.28875452 ], [ 0, 0, 0 ] ]

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

[ "Si", "Si", "Bi", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.867505, 0, 0 ], [ 0, 0.867505, 0 ], [ 0, 0, 0.867505 ] ]

-17.055563

[ 0, 0, 0, 0 ]

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

0

2.874018

pbe

true

8fba1c388434df5144b06ac0e333a6ee_225_Si2Bi1O1

[ "Br", "Cd", "H", "O", "Sr" ]

66

A16B8C6D2E

Br6Cd2H16O8Sr

Br12 Cd4 H32 O16 Sr2

5

[ 1, 1, 1 ]

3

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mp-761745

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

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

2014-02-12 09:23:43

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-285.317548

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pbe

true

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8

A2BC

NNi2Se

Ni4 Se2 N2

3

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3

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agm002862066

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[ "Ni", "Ni", "Ni", "Ni", "Se", "Se", "N", "N" ]

2023-11-16 06:57:59

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5.748016

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true

f5be82f14e798fbf909bf1ba5601f429_122_Ni4Se2N2

[ "N", "Os", "S" ]

4

A2BC

NOs2S

Os2 S1 N1

3

[ 1, 1, 1 ]

3

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agm002706576

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2023-11-16 06:57:59

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