LeMaterial/LeMat-Bulk · Datasets at Hugging Face

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

104

A14B6C4DE

B6H4KO14P

B24 H16 K4 O56 P4

5

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mp-758840

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[{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"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"]}, {"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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2014-05-31 18:36:24

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[]

-736.195541

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[]

0

-0.058607

pbe

true

08e77c9cf60eaab5a4d8bb0bf2f697ae_130_K4B24P4H16O56

[ "B", "H", "Li", "Mg", "N" ]

188

A34B6C4D2E

B4H34Li2MgN6

B16 H136 Li8 Mg4 N24

5

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mp-1199747

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2019-01-12 04:17:01

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5

[ 1, 1, 1 ]

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2023-11-16 06:57:59

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mp-758281

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2014-05-30 07:49:15

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[]

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[]

0

0.331652

pbe

true

cd1cec441e3fdeeb847ef0c67f39e740_14_Rb4B8P8H4O36

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

3

ABC

SeTeTi

Se1 Te1 Ti1

3

[ 1, 1, 1 ]

3

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mp-1216648

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

2019-01-12 18:07:15

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-17.265435

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0

4.96031

pbe

true

c003a7dc04a37099083eeb95d7fd7235_156_Ti1Te1Se1

[ "B", "K", "Li", "Nd", "O" ]

86

A21B9C7D3E3

B7K9Li3Nd3O21

B14 K18 Li6 Nd6 O42

5

[ 1, 1, 1 ]

3

[ [ 0, -10.2087513, 0 ], [ -10.47637371, 0, 4.9436426 ], [ -0.02042343, 0, -11.71945523 ] ]

mp-1195894

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2019-01-12 01:10:21

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B20K3Na9O40Sr4

B20 K3 Na9 O40 Sr4

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2019-01-13 00:35:12

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12

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CuInSeTe2Zr

Cu1 In1 Se1 Te2 Zr1

5

[ 1, 1, 1 ]

3

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oqmd-4920784

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2024-11-01 00:00:00

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pbe

true

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10

A3BC

Sm3TbTm

Tb2 Sm6 Tm2

3

[ 1, 1, 1 ]

3

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agm003706889

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[ "Tb", "Tb", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Tm", "Tm" ]

2023-11-16 06:57:59

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A2BCDE

CuKPdSSe2

Cu1 K1 Pd1 S1 Se2

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[ "Cu", "Cu", "K", "K", "Pd", "Pd", "S", "S", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

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null

pbe

true

92762270c8097d144224ea5d34639967_63_K2Cu2Pd2Se4S2

[ "B", "Li", "Mn", "O", "Rb" ]

34

A9B3C2D2E

B3Li2Mn2O9Rb

B6 Li4 Mn4 O18 Rb2

5

[ 1, 1, 1 ]

3

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mp-770725

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[ "Rb", "Rb", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "B", "B", "B", "B", "B", "B", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-17 21:22:52

[ 0.17647058823529413, 0.11764705882352941, 0.11764705882352941, 0.5294117647058824, 0.058823529411764705 ]

[]

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[]

15.426

0.423197

pbe

true

90da3a5b6c94c3a359e89f94e55ae197_13_Rb2Li4Mn4B6O18

[ "B", "Li", "O", "P", "Pb" ]

152

A11B4C2DE

BLiO11P2Pb4

B8 Li8 O88 P16 Pb32

5

[ 1, 1, 1 ]

3

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mp-1203380

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2019-01-12 07:14:43

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0

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true

7ecf7e5054dc50c6e62d820a3cf5f875_61_Li8B8P16Pb32O88

[ "B", "Li", "O", "S", "Sn" ]

58

A16B6C4D2E

B4Li6O16SSn2

B8 Li12 O32 S2 Sn4

5

[ 1, 1, 1 ]

3

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mp-769001

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2014-02-17 04:14:10

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[]

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pbe

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52

A7B3CDE

BMnNa3O7P

B4 Mn4 Na12 O28 P4

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mp-768574

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2020-06-03 18:39:58

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0.001

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true

84149953ef37744ba76620c0dc964806_11_Na12Mn4B4P4O28

[ "B", "Mn", "Na", "O", "Si" ]

52

A7B3CDE

BMnNa3O7Si

B4 Mn4 Na12 O28 Si4

5

[ 1, 1, 1 ]

3

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mp-772970

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2020-06-03 13:19:03

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0.001

1.240479

pbe

true

07266630411d1ba71236785db636290f_11_Na12Mn4Si4B4O28

[ "Al", "Li", "P" ]

4

A2BC

AlLiP2

Li1 Al1 P2

3

[ 1, 1, 1 ]

3

[ [ 3.55876107, 0, 0 ], [ 0, 3.55876107, 0 ], [ 0, 0, 4.9893441 ] ]

agm003984906

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[ "Al", "Li", "P", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.17685527, 0, 0 ], [ 0, 0.17685527, 0 ], [ 0, 0, 0.06712971 ] ]

-16.879678

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0.000012

2.622118

pbe

true

acf8f1e3cda9c8354eae6e79cabc455d_123_Li1Al1P2

[ "As", "Au", "Cl" ]

4

A2BC

AsAu2Cl

As1 Au2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 2.99732054, 0, 0 ], [ 0, 4.69990436, 0 ], [ 0, 0, 5.63677555 ] ]

agm003988893

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

[ "As", "Au", "Au", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.6735723, 0, 0 ], [ 0, 2.9458923, 0 ], [ 0, 0, 2.8459096 ] ]

-11.837004

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0

1.368852

pbe

true

85eed4cda1c189c8d3ba6c9b999f6b1c_47_As1Au2Cl1

[ "Bi", "Mn", "Os" ]

5

A3BC

BiMn3Os

Mn3 Bi1 Os1

3

[ 1, 1, 1 ]

3

[ [ 4.76510398, 0, 0 ], [ 0, 4.76510398, 0 ], [ 0, 0, 4.76510398 ] ]

agm002526437

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

[ "Mn", "Mn", "Mn", "Os", "Bi" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 2.4348714, 0, 0 ], [ 0, 2.4348714, 0 ], [ 0, 0, 2.4348714 ] ]

-37.708481

[ 3.52, 3.486, 3.527, -0.475, -0.284 ]

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

10.432312

7.629739

pbe

true

201730fbfeea7f3937842fb068c54ddb_221_Mn3Bi1Os1

[ "Ba", "Bi", "Ca", "Cu", "F" ]

40

A14B2C2DE

Ba2Bi2CaCuF14

Ba4 Bi4 Ca2 Cu2 F28

5

[ 1, 1, 1 ]

3

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mp-1045638

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

[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cu", "Cu", "Bi", "Bi", "Bi", "Bi", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-26 21:22:20

[ 0.1, 0.1, 0.05, 0.05, 0.7 ]

[]

-206.002659

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[]

1.975

0.38516

pbe

true

6870f87c5d40be4bb0275d4ee62c8117_1_Ba4Ca2Cu2Bi4F28

[ "Ba", "Bi", "Ca", "In", "O" ]

20

A6BCDE

BaBiCaInO6

Ba2 Bi2 Ca2 In2 O12

5

[ 1, 1, 1 ]

3

[ [ 5.92833101, 0.00846941, 0.00602892 ], [ 0.01075928, 6.00440694, -0.0076486 ], [ 0.00864692, -0.01063829, 8.42529237 ] ]

mp-1518025

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

[ "Ba", "Ba", "Ca", "Ca", "In", "In", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-05-08 05:30:26

[ 0.1, 0.1, 0.1, 0.1, 0.6 ]

[ [ -0.5486213, -0.453326, -0.32841404 ], [ -0.45332581, 0.45090509, -0.25639461 ], [ -0.32841439, -0.25639427, 0.62853334 ] ]

-118.024629

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

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0

3.128587

pbe

true

66a1fe520b9b0a56edb40af1ff9ebae3_2_Ba2Ca2In2Bi2O12

[ "As", "Au", "K" ]

4

A2BC

AsAu2K

K1 As1 Au2

3

[ 1, 1, 1 ]

3

[ [ 2.93391705, 0, 0 ], [ 0, 4.26470568, 0 ], [ 0, 0, 7.50106264 ] ]

agm004352166

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

[ "As", "Au", "Au", "K" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.0576663, 0, 0 ], [ 0, 4.3379498, 0 ], [ 0, 0, 4.2495637 ] ]

-12.287073

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00475439 ], [ 0, 0, 0.00142068 ], [ 0, 0, -0.00620778 ], [ 0, 0, 0.00003271 ] ]

-0.000006

1.216273

pbe

true

1a18ea180ffdfda956f9bac354b69195_25_K1As1Au2

[ "Ba", "Bi", "Ce", "O", "Sr" ]

20

A6BCDE

BaBiCeO6Sr

Ba2 Bi2 Ce2 O12 Sr2

5

[ 1, 1, 1 ]

3

[ [ 6.14414828, -0.01076425, -0.01393319 ], [ -0.00584382, 6.27915546, 0.01351263 ], [ -0.01299584, 0.02551902, 8.776325 ] ]

mp-1518927

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

[ "Ba", "Ba", "Sr", "Sr", "Ce", "Ce", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-05-08 07:01:48

[ 0.1, 0.1, 0.1, 0.6, 0.1 ]

[ [ -6.34582984, 0.33100552, -0.09432964 ], [ 0.33100552, -6.60442003, -0.12815756 ], [ -0.09432969, -0.12815758, -5.98902432 ] ]

-136.068703

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

[ [ 0.00293457, 0.00133132, 0.01268296 ], [ -0.00293457, -0.00133132, -0.01268296 ], [ 0.03786926, 0.02857392, -0.00126736 ], [ -0.03786926, -0.02857392, 0.00126736 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01329418, 0.01295175, -0.00114457 ], [ -0.02894371, 0.00207794, -0.00676492 ], [ 0.01329418, -0.01295175, 0.00114457 ], [ 0.02894371, -0.00207794, 0.00676492 ], [ -0.04240347, 0.06999765, -0.00476689 ], [ -0.06483239, -0.02376423, -0.0293853 ], [ 0.04240347, -0.06999765, 0.00476689 ], [ 0.06483239, 0.02376423, 0.0293853 ], [ -0.04960738, 0.01288546, -0.04490185 ], [ -0.00772619, -0.00614288, -0.01637453 ], [ 0.04960738, -0.01288546, 0.04490185 ], [ 0.00772619, 0.00614288, 0.01637453 ] ]

0

4.049493

pbe

true

f01d0a5ce6eacd9fbf94697466758cfc_2_Ba2Sr2Ce2Bi2O12

[ "Ba", "Bi", "Ce", "O", "Sr" ]

40

A6BCDE

BaBiCeO6Sr

Ba4 Bi4 Ce4 O24 Sr4

5

[ 1, 1, 1 ]

3

[ [ 8.77240187, 0, 0 ], [ 0, 8.79059641, 0 ], [ 0, 0, 8.77761548 ] ]

mp-1519122

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

[ "Ba", "Ba", "Ba", "Ba", "Sr", "Sr", "Sr", "Sr", "Ce", "Ce", "Ce", "Ce", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-05-08 03:23:28

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2013-11-15 18:24:47

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2023-11-16 06:57:59

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2024-11-01 00:00:00

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2019-01-13 04:19:31

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0

3.718101

pbe

true

48c4163724290a3aedb22220af66e73d_38_Ba2Nb8Bi8Pb2O36

[ "Ba", "Bi", "O", "Pb", "Tl" ]

33

A17B8C4D2E2

Ba8Bi2O17Pb4Tl2

Ba8 Bi2 O17 Pb4 Tl2

5

[ 1, 1, 1 ]

3

[ [ 5.4992674, 0.08853608, -3.38736741 ], [ -1.67420826, 5.30857151, -3.27400196 ], [ -1.34488831, -1.4575909, 24.70925576 ] ]

mp-677325

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Tl", "Tl", "Bi", "Bi", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-11-17 07:50:04

[ 0.24242424242424243, 0.06060606060606061, 0.5151515151515151, 0.12121212121212122, 0.06060606060606061 ]

[]

-183.412956

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[]

0

3.902976

pbe

true

4a5463bcd978d1d7c9550677efbb933c_1_Ba8Tl2Bi2Pb4O17

[ "Co", "Li", "Sc" ]

4

A2BC

CoLiSc2

Li1 Sc2 Co1

3

[ 1, 1, 1 ]

3

[ [ 3.52182922, 0, 0 ], [ 0, 3.44754292, 0 ], [ 0, 0, 6.13309734 ] ]

agm004171470

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

[ "Co", "Li", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.0371222, 0, 0 ], [ 0, 5.0342813, 0 ], [ 0, 0, 2.2835996 ] ]

-21.281186

[ 0.003, 0, 0, -0.001 ]

[ [ 0, 0, -0.02120895 ], [ 0, 0, -0.01053274 ], [ 0, 0, 0.01562709 ], [ 0, 0, 0.01611459 ] ]

0.001761

4.073929

pbe

true

80474eb20f15bb5012c0e58fd46b92a5_25_Li1Sc2Co1

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

20

A6BCDE

BaBiO6SrTi

Ba2 Sr2 Ti2 Bi2 O12

5

[ 1, 1, 1 ]

3

[ [ 5.93520717, 0.02568729, -0.01014702 ], [ -0.00088062, 5.92591601, -0.01503873 ], [ -0.04142082, -0.05548621, 8.36634192 ] ]

agm005243011

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

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

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.1, 0.1 ]

[ [ 0.57025725, 0.01710445, -0.05408999 ], [ 0.01710437, 0.46053115, -0.03950353 ], [ -0.05409003, -0.03950354, 0.53758544 ] ]

-138.075651

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0.000051

4.384446

pbe

true

3d6cb79ee244c9adfe4c1dfe0cb84c80_2_Ba2Sr2Ti2Bi2O12

[ "Bi", "Mn", "Pr" ]

6

ABC

BiMnPr

Pr2 Mn2 Bi2

3

[ 1, 1, 1 ]

3

[ [ 4.50827625, 0.00017455, 0.00080605 ], [ 0.00017455, 4.50827625, 0.00080605 ], [ -2.25285979, -2.25285979, 7.88959526 ] ]

agm002345582

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

[ "Pr", "Pr", "Mn", "Mn", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.7986103, 0.02366035, -0.06851572 ], [ 0.02366035, 0.7986103, -0.06851572 ], [ -0.06851583, -0.06851583, 0.9774536 ] ]

-37.124588

[ -0.014, -0.014, 3.841, 3.689, -0.056, -0.056 ]

[ [ 0.00026816, 0.00026816, -0.00168347 ], [ -0.00026816, -0.00026816, 0.00168347 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00031383, -0.00031383, -0.00693793 ], [ 0.00031383, 0.00031383, 0.00693793 ] ]

7.864525

6.601199

pbe

true

7d969718deb3ad0f43c63189cfc851b6_139_Pr2Mn2Bi2

[ "Bi", "N", "Te" ]

4

A2BC

Bi2NTe

Bi2 Te1 N1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.63087233, 3.63087233 ], [ 3.63087233, 0, 3.63087233 ], [ 3.63087233, 3.63087233, 0 ] ]

agm002706651

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

[ "Te", "Bi", "Bi", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.573801, 0, 0 ], [ 0, 0.573801, 0 ], [ 0, 0, 0.573801 ] ]

-14.965562

[ 0, 0, 0, 0 ]

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

-0

1.281949

pbe

true

22f1f4de7a428df3e4000f160110c270_225_Bi2Te1N1

[ "Al", "Tc" ]

15

A4B

Al4Tc

Al4 Tc1

2

[ 1, 1, 1 ]

3

[ [ 2.600205497, -8.812771199, 0 ], [ 2.600205497, 8.812771199, 0 ], [ -0.975531196, 0, 5.067099715 ] ]

oqmd-9682075

[ [ 2.6511399999999994, -4.3836, 0.3549 ], [ 2.65114, 4.3836, 0.3549 ], [ 2.4303399999999997, 4.4897816510636875e-17, 0.7447 ], [ 4.054209999999999, -2.10962, 1.09379 ], [ 4.054209999999999, 2.10962, 1.09379 ], [ 0.2651899999999999, -7.957143612772594e-17, 2.57183 ], [ 2.9906699999999997, -4.11492, 2.99162 ], [ 2.9906699999999997, 4.11492, 2.99162 ], [ 2.75256, -1.346209999999999, 3.45691 ], [ 2.7525600000000003, 1.3462099999999997, 3.45691 ], [ 0.14211, -2.20339, 4.1024 ], [ 0.14211, 2.20339, 4.1024 ], [ 1.4018799999999996, -2.42478, 1.67661 ], [ 1.4018799999999998, 2.4247799999999997, 1.67661 ], [ 4.168629999999999, -1.700912568983296e-16, 5.03375 ] ]

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

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

2024-11-01 00:00:00

[ 0.8, 0.2 ]

[ [ -0.36193097, 0, -0.44497971 ], [ 0, 2.09211165, 0 ], [ -0.44497971, 0, 0.59924083 ] ]

-81.6603

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

[ [ -0.018228, 0.007003, -0.011373 ], [ -0.018228, -0.007003, -0.011373 ], [ -0.029604, 0, -0.006473 ], [ 0.018114, 0.012058, 0.017145 ], [ 0.018114, -0.012058, 0.017145 ], [ 0.014131, 0, -0.013924 ], [ 0.005237, 0.010608, -0.016853 ], [ 0.005237, -0.010608, -0.016853 ], [ -0.000497, 0.004148, 0.01803 ], [ -0.000497, -0.004148, 0.01803 ], [ -0.002094, 0.017946, -0.008417 ], [ -0.002094, -0.017946, -0.008417 ], [ 0.015963, -0.00027, 0.013239 ], [ 0.015963, 0.00027, 0.013239 ], [ -0.021518, 0, -0.003144 ] ]

0.001989

null

pbe

true

5838aa313171a59a15fa3391eca74c4b_8_Al12Tc3

[ "Ba", "C", "Co", "F", "O" ]

52

A6B2C2D2E

Ba2C2CoF2O6

Ba8 C8 Co4 F8 O24

5

[ 1, 1, 1 ]

3

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mp-562662

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2013-06-22 06:37:21

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2023-11-16 06:57:59

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2019-01-12 16:50:45

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pbe

true

8bee3e3da82de2925ea7df6b5f8c6846_14_Ba4Re8C12N24O44

[ "Bi", "Li", "Zn" ]

4

A2BC

Bi2LiZn

Li1 Zn1 Bi2

3

[ 1, 1, 1 ]

3

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[ "Zn", "Bi", "Bi", "Li" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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[ "Ba", "Ca", "Cr", "Cu", "F" ]

40

A14B2C2DE

Ba2CaCr2CuF14

Ba4 Ca2 Cr4 Cu2 F28

5

[ 1, 1, 1 ]

3

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mp-582663

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[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cr", "Cr", "Cr", "Cr", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2014-02-13 15:42:47

[ 0.1, 0.05, 0.1, 0.05, 0.7 ]

[]

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[]

13.71

0.606389

pbe

true

de842e5e95542f98cbc0097fbf6827df_1_Ba4Ca2Cr4Cu2F28

[ "Ba", "Ca", "Cu", "F", "Ni" ]

40

A14B2C2DE

Ba2CaCuF14Ni2

Ba4 Ca2 Cu2 F28 Ni4

5

[ 1, 1, 1 ]

3

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mp-1046122

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "Cu", "Cu", "Ni", "Ni", "Ni", "Ni", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-27 13:18:08

[ 0.1, 0.05, 0.05, 0.7, 0.1 ]

[]

-191.104431

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[]

7.926

0.087759

pbe

true

1498f420e0b862ce2ce3b92bbaa6a1aa_1_Ba4Ca2Cu2Ni4F28

[ "Bi", "Nb", "Nd" ]

4

A2BC

Bi2NbNd

Nd1 Nb1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 3.53554345, 0, 0 ], [ 1.76777172, 3.06187044, 0 ], [ 1.76777172, 1.02062348, 10.88631215 ] ]

agm002008844

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

[ "Nb", "Nd", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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0.17994

5.081098

pbe

true

1996ec6bb4cf70381d15f14df452bf43_166_Nd1Nb1Bi2

[ "Ba", "Ca", "Cu", "Hg", "O" ]

73

A37B15C12D6E3

Ba6Ca12Cu15Hg3O37

Ba6 Ca12 Cu15 Hg3 O37

5

[ 1, 1, 1 ]

3

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mp-1229082

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2019-01-13 04:43:05

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2024-11-01 00:00:00

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2019-07-02 00:35:06

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2014-05-05 08:42:18

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[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Ba", "Ba", "Ba", "Ba", "Ca", "Ca", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "U", "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" ]

2013-11-19 13:17:22

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[]

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[]

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[ "As", "Be", "Fe" ]

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As2BeFe

Be1 Fe1 As2

3

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agm004110784

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[ "Be", "As", "As", "Fe" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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140

A96B24C16D3E

BaCa3O96P24Zr16

Ba1 Ca3 O96 P24 Zr16

5

[ 1, 1, 1 ]

3

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2019-01-13 04:48:47

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0

0.270029

pbe

true

48ddce99ef227b31804a43c137eaf620_2_Ba1Ca3Zr16P24O96

[ "Bi", "Lu", "Ni" ]

9

ABC

BiLuNi

Bi1 Lu1 Ni1

3

[ 1, 1, 1 ]

3

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oqmd-5991571

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

[ "Bi", "Bi", "Bi", "Lu", "Lu", "Lu", "Ni", "Ni", "Ni" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 22.00370219, 0, 0 ], [ 0, 22.00370219, 0 ], [ 0, 0, 9.42207461 ] ]

-42.46

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

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-0.001386

null

pbe

true

407572054330dc31bc8756c2559844ea_189_Lu3Ni3Bi3

[ "Ba", "Ca", "O", "Ru", "Sr" ]

60

A36B12C8D3E

Ba12Ca3O36Ru8Sr

Ba12 Ca3 O36 Ru8 Sr1

5

[ 1, 1, 1 ]

3

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mp-1229266

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2019-01-13 04:52:51

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mp-1519963

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2020-05-08 02:31:47

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0

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mp-1843918

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2014-02-22 18:02:36

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true

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[ "Ba", "Ce", "Hf", "O", "Sr" ]

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BaCeHfO6Sr

Ba4 Ce4 Hf4 O24 Sr4

5

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3

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mp-1522444

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2020-05-08 09:29:18

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[ "Ba", "Cl", "Co", "F", "Fe" ]

24

A7B2CDE

Ba2ClCoF7Fe

Ba4 Fe2 Co2 Cl2 F14

5

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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13.999993

0

pbe

true

a6bdd2b5fce320e02775fabb2ba5635f_11_Ba4Fe2Co2Cl2F14

[ "Ba", "Cl", "Cu", "O", "Te" ]

50

A11B4C4D4E2

Ba2Cl4Cu4O11Te4

Ba4 Cl8 Cu8 O22 Te8

5

[ 1, 1, 1 ]

3

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mp-561174

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[ "Ba", "Ba", "Ba", "Ba", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-07 03:15:12

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[]

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[]

3.864

3.476153

pbe

true

b292857735a959a3dba612b5f55adc10_2_Ba4Cu8Te8Cl8O22

[ "Bi", "Mg", "Pa" ]

4

A2BC

BiMg2Pa

Mg2 Pa1 Bi1

3

[ 1, 1, 1 ]

3

[ [ 3.21272576, 0, 0 ], [ 0, 3.21272576, 0 ], [ 0, 0, 10.06352331 ] ]

agm001151728

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

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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0.974166

5.271755

pbe

true

f42d0b76e0d9f374834548d85e383e3d_123_Mg2Pa1Bi1

[ "Bi", "Nb", "Np" ]

6

ABC

BiNbNp

Np2 Nb2 Bi2

3

[ 1, 1, 1 ]

3

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agm001057237

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[ "Np", "Np", "Nb", "Nb", "Bi", "Bi" ]

2023-11-16 06:57:59

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11.96326

pbe

true

32ba4519b0725f24aa42e0c3b542941c_12_Np2Nb2Bi2

[ "Bi", "Nb", "O" ]

10

A2B2C

Bi2NbO2

Nb2 Bi4 O4

3

[ 1, 1, 1 ]

3

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agm003005658

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[ "Nb", "Nb", "Bi", "Bi", "Bi", "Bi", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-0

6.288617

pbe

true

75aecf614d0d1adaf65cf2e693871bf7_127_Nb2Bi4O4

[ "Al", "Pt" ]

24

A5B

AlPt5

Al1 Pt5

2

[ 1, 1, 1 ]

3

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oqmd-7889718

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

[ "Al", "Al", "Al", "Al", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2024-11-01 00:00:00

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-147.142

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0.002345

null

pbe

true

cf9ea3f66bb43e3920c66dd015056e9a_62_Al4Pt20

[ "Al", "Pu" ]

4

A3B

AlPu3

Pu3 Al1

2

[ 1, 1, 1 ]

3

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agm001418663

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

[ "Al", "Pu", "Pu", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 6.9769444, 0, 0 ], [ 0, 6.9769444, 0 ], [ 0, 0, 6.9769444 ] ]

-46.530669

[ 0.011, -4.346, 4.726, 4.726 ]

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5.419634

12.671465

pbe

true

c55a4a52a37adf8b31439440a2d17685_225_Pu3Al1

[ "Al", "Re" ]

6

A5B

Al5Re

Al5 Re1

2

[ 1, 1, 1 ]

3

[ [ 2.44169278, -4.22913596, 0 ], [ 2.44169278, 4.22913596, 0 ], [ 0, 0, 4.68134075 ] ]

agm005420394

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

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

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

[ [ 3.4805098, 0, 0 ], [ 0, 3.4805098, 0 ], [ 0, 0, 3.4809282 ] ]

-28.590041

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

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-0.000002

1.584158

pbe

true

20f947b7377378edace2a4b5287b3452_191_Al5Re1

[ "Ba", "Co", "La", "O", "Si" ]

42

A26B8C6DE

BaCoLa8O26Si6

Ba1 Co1 La8 O26 Si6

5

[ 1, 1, 1 ]

3

[ [ -0.00101778, 0.00193902, -7.23802303 ], [ -4.90473592, -8.50152804, 0.00158586 ], [ -4.90549923, 8.50196862, -0.00295455 ] ]

mp-1228420

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

[ "Ba", "La", "La", "La", "La", "La", "La", "La", "La", "Co", "Si", "Si", "Si", "Si", "Si", "Si", "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" ]

2019-01-13 04:08:05

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-339.932546

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2.916

4.378048

pbe

true

2ac19537f7e50a4949d95f1b1a857825_1_Ba1La8Co1Si6O26

[ "As", "Bi", "W" ]

4

A2BC

AsBi2W

Bi2 As1 W1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.5640197, 3.5640197 ], [ 3.5640197, 0, 3.5640197 ], [ 3.5640197, 3.5640197, 0 ] ]

agm002637580

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

[ "As", "Bi", "Bi", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.9191138, 0, 0 ], [ 0, 0.9191138, 0 ], [ 0, 0, 0.9191138 ] ]

-21.466235

[ 0, 0, 0, 0 ]

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

0

4.491278

pbe

true

4c78658dfcbfb9923516d5d9d1481104_225_Bi2As1W1

[ "Co", "Lu", "Mo" ]

4

A2BC

Co2LuMo

Co2 Lu1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.080176909, 3.080176909 ], [ 3.080176909, 0, 3.080176909 ], [ 3.080176909, 3.080176909, 0 ] ]

oqmd-5733711

[ [ 0, 0, 0 ], [ 4.6202700000000005, 4.6202700000000005, 4.6202700000000005 ], [ 1.54009, 1.54009, 1.54009 ], [ 3.08018, 3.08018, 3.08018 ] ]

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

[ "Co", "Co", "Lu", "Mo" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 6.92288052, 0, 0 ], [ 0, 6.92288052, 0 ], [ 0, 0, 6.92288052 ] ]

-28.2736

[ -0.76, -0.49, 0.086, 0.158 ]

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

-0.951179

null

pbe

true

2e17d0ad9113f0cb72832e35cfe80f67_216_Lu1Co2Mo1

[ "Bi", "Mg", "Pa" ]

7

A4B2C

Bi4MgPa2

Mg1 Pa2 Bi4

3

[ 1, 1, 1 ]

3

[ [ 5.03662049, 0, 0 ], [ 0, 6.29403266, -1.77571203 ], [ 0, 0.28425653, 6.533544 ] ]

agm005993511

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[ "Mg", "Pa", "Pa", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

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true

f6295a7f3938f718db8685fd183c5231_65_Mg1Pa2Bi4

[ "As", "Cd", "K" ]

4

A2BC

As2CdK

K1 Cd1 As2

3

[ 1, 1, 1 ]

3

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agm003997017

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[ "As", "As", "Cd", "K" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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true

e86191b1131fa90fbd30d11946e41ac5_123_K1Cd1As2

[ "Co", "Lu", "N" ]

4

A2BC

CoLuN2

Lu1 Co1 N2

3

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3

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agm002292244

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[ "Lu", "Co", "N", "N" ]

2023-11-16 06:57:59

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0.000419

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true

3502f831cb71eacfa2204e0718ea035b_156_Lu1Co1N2

[ "Ba", "Cr", "Na", "O", "Ru" ]

58

A17B6C2D2E2

Ba6Cr2Na2O17Ru2

Ba12 Cr4 Na4 O34 Ru4

5

[ 1, 1, 1 ]

3

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mp-559863

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

[ "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Ba", "Na", "Na", "Na", "Na", "Cr", "Cr", "Cr", "Cr", "Ru", "Ru", "Ru", "Ru", "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" ]

2014-02-18 09:22:35

[ 0.20689655172413793, 0.06896551724137931, 0.06896551724137931, 0.5862068965517241, 0.06896551724137931 ]

[]

-380.410117

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[]

14.698

2.864413

pbe

true

93a4f92e46a64a036dfea3f18823ebf1_194_Ba12Na4Cr4Ru4O34

[ "Ba", "Cu", "F", "Mg", "Mo" ]

40

A14B2C2DE

Ba2CuF14MgMo2

Ba4 Cu2 F28 Mg2 Mo4

5

[ 1, 1, 1 ]

3

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mp-1045901

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

[ "Ba", "Ba", "Ba", "Ba", "Mg", "Mg", "Cu", "Cu", "Mo", "Mo", "Mo", "Mo", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-27 10:42:52

[ 0.1, 0.05, 0.7, 0.05, 0.1 ]

[]

-217.58521

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[]

9.579

0.890547

pbe

true

8fd6becba95b9cbef77e7a65b615086d_1_Ba4Mg2Cu2Mo4F28

[ "Ba", "Cu", "F", "Mg", "Sb" ]

40

A14B2C2DE

Ba2CuF14MgSb2

Ba4 Cu2 F28 Mg2 Sb4

5

[ 1, 1, 1 ]

3

[ [ 5.35192894, -0.03163051, 0.03301501 ], [ -2.71813822, 7.28081301, -0.11975141 ], [ 0.09099396, 0.19686788, 16.22224051 ] ]

mp-1045695

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

[ "Ba", "Ba", "Ba", "Ba", "Mg", "Mg", "Cu", "Cu", "Sb", "Sb", "Sb", "Sb", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-27 00:20:47

[ 0.1, 0.05, 0.7, 0.05, 0.1 ]

[]

-201.873681

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[]

1.976

1.049008

pbe

true

df2770ae6a99ec78a7b22c66329af296_1_Ba4Mg2Cu2Sb4F28

[ "Ba", "Cu", "F", "Mn", "Zn" ]

40

A14B2C2DE

Ba2CuF14Mn2Zn

Ba4 Cu2 F28 Mn4 Zn2

5

[ 1, 1, 1 ]

3

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mp-1045867

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[ "Ba", "Ba", "Ba", "Ba", "Mn", "Mn", "Mn", "Mn", "Zn", "Zn", "Cu", "Cu", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-27 08:17:43

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[]

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[]

13.633

0.349262

pbe

true

007c7245b9d22dca3fb2fd5772ac8b86_1_Ba4Mn4Zn2Cu2F28

[ "Co", "Lu", "Se" ]

3

ABC

CoLuSe

Lu1 Co1 Se1

3

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3

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agm001847642

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[ "Lu", "Co", "Se" ]

2023-11-16 06:57:59

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pbe

true

07b4e039dfadae65d0566d084acd9da1_107_Lu1Co1Se1

[ "Ba", "Cu", "F", "Sn", "Zn" ]

40

A14B2C2DE

Ba2CuF14Sn2Zn

Ba4 Cu2 F28 Sn4 Zn2

5

[ 1, 1, 1 ]

3

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mp-1045777

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

[ "Ba", "Ba", "Ba", "Ba", "Zn", "Zn", "Cu", "Cu", "Sn", "Sn", "Sn", "Sn", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2017-11-27 02:03:12

[ 0.1, 0.05, 0.7, 0.1, 0.05 ]

[]

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[]

0.001

2.763275

pbe

true

1765b195c53ea549af9cf33fb80cb09c_1_Ba4Zn2Cu2Sn4F28

[ "Al", "Re" ]

8

A7B

AlRe7

Al1 Re7

2

[ 1, 1, 1 ]

3

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agm005491686

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

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

2023-11-16 06:57:59

[ 0.125, 0.875 ]

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-89.710856

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8.518823

pbe

true

bc4f448824de5d8e09dbea14420b7f78_225_Al1Re7

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

22

A12B6C2DE

BaCuK2N6O12

K2 Ba1 Cu1 N6 O12

5

[ 1, 1, 1 ]

3

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

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

2023-11-16 06:57:59

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1.0566

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pbe

true

c99952fbfffe580eea8b6e46e12dcf40_69_K2Ba1Cu1N6O12

[ "As", "In", "Se" ]

3

ABC

AsInSe

In1 As1 Se1

3

[ 1, 1, 1 ]

3

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agm003954479

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[ "As", "Se", "In" ]

2023-11-16 06:57:59

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true

e53fa2d6692b450bfbc0c5cd67273d4f_107_In1As1Se1

[ "Al", "Re" ]

12

AB

AlRe

Al6 Re6

2

[ 1, 1, 1 ]

3

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agm004469470

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

2023-11-16 06:57:59

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pbe

true

f7c30908cb1cd1aadca5fe4c089aa372_194_Al6Re6

[ "Ac", "La", "Pr", "Sm" ]

10

A2BCD

AcLaPrSm2

Ac2 La2 Pr2 Sm4

4

[ 1, 1, 1 ]

3

[ [ 6.04346554, 0, 0 ], [ 0, 6.45981583, 1.12180352 ], [ 0, 1.5803067, 9.8741619 ] ]

agm004998997

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

[ "Ac", "Ac", "La", "La", "Pr", "Pr", "Sm", "Sm", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.83952177, 0, 0 ], [ 0, 0.86004096, -0.01093629 ], [ 0, -0.01093643, 0.8737767 ] ]

-46.098179

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

[ [ 0, 0.00419142, -0.00008137 ], [ 0, -0.00419142, 0.00008137 ], [ 0, 0.00419089, 0.00050536 ], [ 0, -0.00419089, -0.00050536 ], [ 0, -0.00187674, -0.00124033 ], [ 0, 0.00187674, 0.00124033 ], [ 0, -0.0006392, 0.000051 ], [ 0, 0.0006392, -0.000051 ], [ 0, -0.00274993, 0.00113913 ], [ 0, 0.00274993, -0.00113913 ] ]

0.000016

17.04104

pbe

true

4cf70491eedfb970551e90248e783ae2_11_Ac2La2Pr2Sm4

[ "Ba", "Cu", "Nd", "O", "Ti" ]

19

A11B2C2D2E2

Ba2Cu2Nd2O11Ti2

Ba2 Cu2 Nd2 O11 Ti2

5

[ 1, 1, 1 ]

3

[ [ 3.93789264, 0, 0 ], [ 0, 3.93789264, 0 ], [ 0, 0, 16.03637035 ] ]

mp-557043

[ [ 1.96894632, 1.96894632, 3.748454422383671 ], [ 1.96894632, 1.96894632, 12.287915927616329 ], [ 1.96894632, 1.96894632, 0 ], [ 1.96894632, 1.96894632, 8.018185175 ], [ 0, 0, 10.032855550079361 ], [ 0, 0, 6.003514799920637 ], [ 0, 0, 1.7079007041045948 ], [ 0, 0, 14.328469645895403 ], [ 1.96894632, 0, 9.823050914971793 ], [ 0, 1.96894632, 9.823050914971793 ], [ 1.96894632, 0, 14.502450312550698 ], [ 0, 1.96894632, 1.5339200374492994 ], [ 1.96894632, 0, 1.5339200374492994 ], [ 0, 1.96894632, 6.213319435028205 ], [ 0, 0, 4.140398067198392 ], [ 0, 0, 11.895972282801607 ], [ 0, 0, 8.018185175 ], [ 1.96894632, 0, 6.213319435028205 ], [ 0, 1.96894632, 14.502450312550698 ] ]

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

[ "Ba", "Ba", "Nd", "Nd", "Ti", "Ti", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-21 17:50:18

[ 0.10526315789473684, 0.10526315789473684, 0.10526315789473684, 0.5789473684210527, 0.10526315789473684 ]

[]

-141.66773

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

[]

0

4.008478

pbe

true

267e283c3a36d332ddb806fe0c431404_123_Ba2Nd2Ti2Cu2O11

[ "As", "Ir", "Pb" ]

4

A2BC

As2IrPb

As2 Ir1 Pb1

3

[ 1, 1, 1 ]

3

[ [ 4.68752427, 0, 0 ], [ 0, 4.1237795, 0 ], [ 0, 0, 4.1237795 ] ]

agm004171215

[ [ 2.343762135, 0, 2.06188975 ], [ 0, 0, 0 ], [ 0, 2.06188975, 2.06188975 ], [ 2.343762135, 2.06188975, 0 ] ]

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

[ "Pb", "As", "As", "Ir" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 3.430175, 0, 0 ], [ 0, 3.9175, 0 ], [ 0, 0, 3.9175 ] ]

-19.740036

[ 0, 0, 0, 0 ]

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

0.000001

1.831893

pbe

true

561247baae80e4cc52ddecf44a929a8d_123_As2Ir1Pb1

[ "Bi", "Mg", "Ru" ]

5

A3BC

BiMgRu3

Mg1 Bi1 Ru3

3

[ 1, 1, 1 ]

3

[ [ 4.96827253, 0, 0 ], [ 0, 4.96827253, 0 ], [ 0, 0, 4.96827253 ] ]

agm002521185

[ [ 0, 2.484136265, 0 ], [ 0, 0, 2.484136265 ], [ 2.484136265, 0, 0 ], [ 2.484136265, 2.484136265, 2.484136265 ], [ 0, 0, 0 ] ]

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

[ "Ru", "Ru", "Ru", "Mg", "Bi" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 3.559376, 0, 0 ], [ 0, 3.559376, 0 ], [ 0, 0, 3.559376 ] ]

-24.966616

[ 1.052, 1.196, 0.847, -0.021, -0.097 ]

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

2.980479

5.208027

pbe

true

a775110a35325adce4846ad630c00503_221_Mg1Bi1Ru3

[ "Bi", "Mg", "Sb" ]

3

ABC

BiMgSb

Mg1 Bi1 Sb1

3

[ 1, 1, 1 ]

3

[ [ 5.0287034, 0, 0 ], [ 2.5143517, 4.3549849, 0 ], [ 2.5143517, 1.45166163, 4.10591914 ] ]

agm001240540

[ [ 5.0287034, 2.903323265, 2.05295957 ], [ 2.5143517, 1.4516616325, 1.026479785 ], [ 0, 0, 0 ] ]

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

[ "Sb", "Mg", "Bi" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.09233002, 0, 0 ], [ 0, 0.09233002, 0 ], [ 0, 0, 0.09233002 ] ]

-9.778703

[ 0, 0, 0 ]

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

-0

0.642251

pbe

true

a81b3f9c34656f42ce12418aff78688a_216_Mg1Bi1Sb1

[ "Bi", "Mg", "Sc" ]

4

A2BC

BiMgSc2

Mg1 Sc2 Bi1

3

[ 1, 1, 1 ]

3

[ [ 4.48392762, 0, 0 ], [ 2.24196381, 3.88319522, 0 ], [ 2.24196381, 1.29439841, 6.44332936 ] ]

agm005121803

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

[ "Mg", "Sc", "Sc", "Bi" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.8911258, 0, 0 ], [ 0, 1.8911258, 0 ], [ 0, 0, 1.8284351 ] ]

-18.498389

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.0073134 ], [ 0, 0, 0.00103217 ], [ 0, 0, -0.00651958 ], [ 0, 0, -0.001826 ] ]

-0.000003

2.776415

pbe

true

e4ff1501efbad1f70ddd43e14d320e7c_160_Mg1Sc2Bi1

[ "N", "Rb", "Te" ]

4

A2BC

N2RbTe

Rb1 Te1 N2

3

[ 1, 1, 1 ]

3

[ [ 2.63379907, 0, 7.04692321 ], [ -1.31689953, 2.2809369, 7.04692321 ], [ -1.31689953, -2.2809369, 7.04692321 ] ]

agm002769975

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

[ "Te", "Rb", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.26923415, 0, 0 ], [ 0, 0.26923415, 0 ], [ 0, 0, 1.1997378 ] ]

-16.341482

[ 0.091, 0.011, 0.297, 0.297 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.02018108 ], [ 0, 0, 0.02018108 ] ]

0.999666

2.13703

pbe

true

9c52ceb58ed2edc237f5575227629bf3_166_Rb1Te1N2

[ "Ba", "Dy", "O", "Pt", "Zn" ]

102

A57B17C16D8E4

Ba17Dy16O57Pt4Zn8

Ba17 Dy16 O57 Pt4 Zn8

5

[ 1, 1, 1 ]

3

[ [ 5.68354697, 0.00004903, 1.00499413 ], [ 2.84192117, 16.36155946, 0.50246152 ], [ -0.00735412, -0.00003642, 16.61417343 ] ]

mp-556377

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2014-02-23 05:41:56

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ "Ba", "Ba", "Ba", "Ba", "Eu", "Eu", "Eu", "Eu", "Sn", "Sn", "Sn", "Sn", "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" ]

2020-05-08 11:25:49

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27.392

5.622179

pbe

true

f0ad2426c3a982b1abef588322d5bc9c_16_Ba4Eu4Sn4W4O24

[ "Bi", "Mg", "Se" ]

5

A3BC

Bi3MgSe

Mg1 Bi3 Se1

3

[ 1, 1, 1 ]

3

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agm002518106

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

[ "Mg", "Bi", "Bi", "Bi", "Se" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

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4.058492

pbe

true

d147fb852a8a4ddf5e22e7cedbe54d3c_221_Mg1Bi3Se1

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

56

A17B4C4D2E

BaFe2H4O17P4

Ba2 Fe4 H8 O34 P8

5

[ 1, 1, 1 ]

3

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mp-1228787

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

[ "Ba", "Ba", "Fe", "Fe", "Fe", "Fe", "P", "P", "P", "P", "P", "P", "P", "P", "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" ]

2019-01-13 04:27:34

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-365.621036

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16.324

0.754626

pbe

true

519835eaeb874276aac38e01130498ca_4_Ba2Fe4P8H8O34

[ "Al", "Au", "Pt", "Sr" ]

6

A2B2CD

Al2Au2PtSr

Sr1 Al2 Pt1 Au2

4

[ 1, 1, 1 ]

3

[ [ 4.77501418, 0, 0 ], [ 0, 4.77501418, 0 ], [ 0, 0, 5.92470969 ] ]

agm004747951

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

[ "Sr", "Al", "Al", "Pt", "Au", "Au" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666 ]

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-25.395585

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0

1.819902

pbe

true

f05c5c7e6a0d0cc204f1c1335ef469cf_123_Sr1Al2Pt1Au2

[ "N", "Se", "Si" ]

10

A2B2C

N2SeSi2

Si4 Se2 N4

3

[ 1, 1, 1 ]

3

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agm2000067004

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

[ "Si", "Si", "Si", "Si", "Se", "Se", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

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2023-11-16 06:57:59

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Ba2 Tl2 Zn2 Fe3 O10

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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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