LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Br", "Ca", "Li" ]

4

A2BC

BrCaLi2

Li2 Ca1 Br1

3

[ 1, 1, 1 ]

3

[ [ 5.380911, 0, 0 ], [ 2.6904555, 4.66000562, 0 ], [ 2.6904555, 1.55333521, 4.39349543 ] ]

agm003804674

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

[ "Br", "Ca", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.4908501, 0, 0 ], [ 0, 0.4908501, 0 ], [ 0, 0, 0.4908501 ] ]

-8.672876

[ 0, 0, 0, 0 ]

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

0.000076

3.747725

pbe

true

a32b4d51fb78d908c40ca7cfe4b83db6_216_Li2Ca1Br1

[ "Cu", "H", "Li", "O", "P" ]

54

A13B8C3D2E

Cu2H8LiO13P3

Cu4 H16 Li2 O26 P6

5

[ 1, 1, 1 ]

3

[ [ 6.80790538, -0.0050922, -0.00982899 ], [ -2.81601359, 8.85679679, 0.02921207 ], [ -2.42753421, -1.65137778, 9.42978896 ] ]

mp-781859

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

[ "Li", "Li", "Cu", "Cu", "Cu", "Cu", "P", "P", "P", "P", "P", "P", "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" ]

2014-02-27 01:17:10

[ 0.07407407407407407, 0.2962962962962963, 0.037037037037037035, 0.48148148148148145, 0.1111111111111111 ]

[]

-311.360774

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[]

0

3.147188

pbe

true

82de204bf82e80d7d17e1e01b0dd4bbe_2_Li2Cu4P6H16O26

[ "Cu", "H", "Mn", "N", "O" ]

54

A12B8C4D2E

CuH12Mn2N4O8

Cu2 H24 Mn4 N8 O16

5

[ 1, 1, 1 ]

3

[ [ 6.47070867, 0, -0.10827397 ], [ 0, 11.74932551, 0 ], [ 0.60873327, 0, 10.42687203 ] ]

mp-746774

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

[ "Mn", "Mn", "Mn", "Mn", "Cu", "Cu", "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" ]

2014-01-28 08:45:36

[ 0.037037037037037035, 0.4444444444444444, 0.07407407407407407, 0.14814814814814814, 0.2962962962962963 ]

[]

-277.720897

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[]

12.532

-0.765719

pbe

true

e912387255ceabd94b47cc0240208b98_11_Mn4Cu2H24N8O16

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

56

A6B5CDE

CuH6NO5P

Cu4 H24 N4 O20 P4

5

[ 1, 1, 1 ]

3

[ [ 7.42025019, 0, -0.60562922 ], [ 0, 7.61870563, 0 ], [ -0.02112816, 0, 8.69515381 ] ]

mp-733866

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

[ "Cu", "Cu", "Cu", "Cu", "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", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-01-16 03:00:35

[ 0.07142857142857142, 0.42857142857142855, 0.07142857142857142, 0.35714285714285715, 0.07142857142857142 ]

[]

-314.032851

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[]

3.828

1.599996

pbe

true

a6ce7c20154f5bde554709015d00c707_14_Cu4P4H24N4O20

[ "Au", "Ir", "Re" ]

3

ABC

AuIrRe

Re1 Ir1 Au1

3

[ 1, 1, 1 ]

3

[ [ 4.90575655, 0.00195852, -0.00124244 ], [ 2.54767193, 4.19235243, 0.00124244 ], [ -3.35382372, -2.75979233, 2.28075983 ] ]

agm003813453

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[ "Au", "Ir", "Re" ]

2023-11-16 06:57:59

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1.410421

pbe

true

305e864f19221573ada9fe2d86852414_44_Re1Ir1Au1

[ "Cl", "K", "Rh" ]

6

A4BC

Cl4KRh

K1 Rh1 Cl4

3

[ 1, 1, 1 ]

3

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agm005442270

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[ "K", "Rh", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

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-14.049389

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4.06253

1.155371

pbe

true

7ae33d3f35080270bc197bccda9371c4_216_K1Rh1Cl4

[ "Cu", "H", "Na", "O", "Se" ]

17

A10B2C2D2E

Cu2H2NaO10Se2

Cu2 H2 Na1 O10 Se2

5

[ 1, 1, 1 ]

3

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mp-722515

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[ "Na", "Cu", "Cu", "H", "H", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-04-30 19:35:16

[ 0.11764705882352941, 0.11764705882352941, 0.058823529411764705, 0.5882352941176471, 0.11764705882352941 ]

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-86.099266

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pbe

true

4ddec2c5b4b70a077325d74bc1d6d8db_2_Na1Cu2H2Se2O10

[ "Cu", "H", "O", "Pb", "S" ]

176

A11B5C4DE

CuH5O11Pb4S

Cu8 H40 O88 Pb32 S8

5

[ 1, 1, 1 ]

3

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mp-709886

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2013-12-28 04:48:26

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[]

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[]

0

2.67432

pbe

true

d3362399145523bdfc5904e810f7c270_14_Cu8H40Pb32S8O88

[ "Be", "In" ]

4

A3B

BeIn3

Be1 In3

2

[ 1, 1, 1 ]

3

[ [ 4.35360376, -0.00749219, 0.01626176 ], [ 2.97842227, 3.17536181, 0.01626176 ], [ 1.4858413, 0.64197147, 6.72022163 ] ]

agm004062797

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

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 0.58938015, -0.19305733, -0.22393382 ], [ -0.19305733, 0.9527986, -0.09675268 ], [ -0.22393414, -0.09675282, 1.0833484 ] ]

-10.660522

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0

1.527295

pbe

true

bab72473e5fde31b2437a3bf33b0ed13_12_Be1In3

[ "Cl", "La", "Pt" ]

4

A2BC

ClLaPt2

La1 Pt2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.69745581, 0, 0 ], [ 0, 3.69831018, 0 ], [ 0, 0, 7.50224426 ] ]

agm003980648

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[ "Cl", "Pt", "Pt", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.424813, 0, 0 ], [ 0, 2.389854, 0 ], [ 0, 0, 2.2787845 ] ]

-22.517168

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.0050263 ], [ 0, 0, 0.00021284 ], [ 0, 0, -0.00219984 ], [ 0, 0, -0.0030393 ] ]

-0

2.973359

pbe

true

488c46a2e66f2290e19da23546ee09d1_99_La1Pt2Cl1

[ "Bi", "Se" ]

4

AB

BiSe

Bi2 Se2

2

[ 1, 1, 1 ]

3

[ [ 4.91956709, -0.00127492, 0 ], [ -2.46088787, 4.26171624, 0 ], [ 0, 0, 18.82383227 ] ]

agm2000111176

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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"]}]

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

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.03995093, -0.00169014, 0.01154749 ], [ -0.00169022, 0.04271746, 0.00008647 ], [ 0.01154735, 0.00008655, -0.05071235 ] ]

-15.174349

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-0

-0.026411

pbe

true

e5a735fca2be5e7b2ad4b8185bcd83d8_164_Bi2Se2

[ "Cl", "La", "Re" ]

4

A2BC

ClLaRe2

La1 Re2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.33987894, 0, 0 ], [ 0, 4.13755352, 0 ], [ 0, 0, 6.03565186 ] ]

agm003983787

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

[ "Re", "Re", "Cl", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.4234889, 0, 0 ], [ 0, 2.525904, 0 ], [ 0, 0, 2.6125612 ] ]

-30.79423

[ 0, 0.002, 0, 0 ]

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

0.003223

3.717307

pbe

true

585cfa8b7b70875a4ebd008e4e8ffbce_47_La1Re2Cl1

[ "Cl", "La", "Rh" ]

3

ABC

ClLaRh

La1 Rh1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.61660192, 0, 0 ], [ 2.30830096, 3.99809454, 0 ], [ 2.30830096, 1.33269818, 3.76943968 ] ]

agm003988626

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

[ "Cl", "La", "Rh" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.4961536, 0, 0 ], [ 0, 3.4961536, 0 ], [ 0, 0, 3.4961536 ] ]

-15.77699

[ 0, 0, 0 ]

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

-0.000241

4.525297

pbe

true

5d905d4787370367fbff91968077428d_216_La1Rh1Cl1

[ "Bi", "Se" ]

10

A3B2

Bi2Se3

Bi4 Se6

2

[ 1, 1, 1 ]

3

[ [ 5.4759603, 0, 0 ], [ 0, 12.15858532, 0 ], [ 0, 0, 19.52035274 ] ]

agm2000027295

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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"]}]

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

2023-11-16 06:57:59

[ 0.4, 0.6 ]

[ [ 0.08099444, 0, 0 ], [ 0, 0.1080379, 0 ], [ 0, 0, -0.02761327 ] ]

-33.92639

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0.392669

9.014314

pbe

true

93843acfcaffa1904cd8d744d87a1df2_27_Bi4Se6

[ "Bi", "Sm" ]

4

A3B

BiSm3

Sm3 Bi1

2

[ 1, 1, 1 ]

3

[ [ 4.08299914, 0, 0 ], [ 0, 5.55839718, 0 ], [ -2.04149957, -2.77919859, 5.62030312 ] ]

agm001283648

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

[ "Bi", "Sm", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 1.0757426, 0, 0 ], [ 0, 0.9998156, 0 ], [ 0, 0, 0.99728185 ] ]

-19.482054

[ 0, 0, 0, 0 ]

[ [ 0, -0.00101057, 0 ], [ 0, 0.00025603, 0.00230706 ], [ 0, 0.0004985, 0 ], [ 0, 0.00025603, -0.00230706 ] ]

0

3.010105

pbe

true

6d0ee19b4e52b5978229d28e122b5792_44_Sm3Bi1

[ "Bi", "Tb" ]

4

A3B

BiTb3

Bi1 Tb3

2

[ 1, 1, 1 ]

3

[ [ -2.3694387, 2.3694387, 5.30753368 ], [ 2.3694387, -2.3694387, 5.30753368 ], [ 2.3694387, 2.3694387, -5.30753368 ] ]

mp-1187275

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

[ "Tb", "Tb", "Tb", "Bi" ]

2019-01-11 14:57:46

[ 0.25, 0.75 ]

[ [ 0.51982927, 0, 0 ], [ 0, 0.51982927, 0 ], [ 0, 0, 0.00813602 ] ]

-19.167035

[ 0.007, 0.007, 0.013, -0.001 ]

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

0.026

4.684144

pbe

true

42b61776b1c356b7890a24a72a44d1b0_139_Tb3Bi1

[ "Cl", "La", "Rh" ]

6

A3B2C

Cl2La3Rh

La3 Rh1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 3.97457811, 0, -0.76160651 ], [ -0.41200021, 5.72720733, -2.1500993 ], [ -0.60438756, -0.47317155, 7.59772406 ] ]

agm005672137

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

[ "La", "La", "La", "Rh", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.5, 0.16666666666666666 ]

[ [ 1.5749825, 0.00100014, -0.01111165 ], [ 0.00100014, 1.5051233, 0.0052189 ], [ -0.01111165, 0.0052189, 1.5191247 ] ]

-33.840605

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

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0.000067

6.337847

pbe

true

3aab16b7e489351f6ea76a3201eaf29b_71_La3Rh1Cl2

[ "Br", "Sb" ]

5

A4B

BrSb4

Sb4 Br1

2

[ 1, 1, 1 ]

3

[ [ -3.43179628, 3.43179628, 3.43179628 ], [ 3.43179628, -3.43179628, 3.43179628 ], [ 3.43179628, 3.43179628, -3.43179628 ] ]

agm005410675

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

[ "Sb", "Sb", "Sb", "Sb", "Br" ]

2023-11-16 06:57:59

[ 0.2, 0.8 ]

[ [ 0.323772, 0, 0 ], [ 0, 0.323772, 0 ], [ 0, 0, 0.323772 ] ]

-15.418782

[ 0, 0, 0, 0, 0 ]

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

0.000001

5.714042

pbe

true

506844aabafcc21c17fcb4606deaba74_229_Sb4Br1

[ "Br", "Ca", "Mg" ]

4

A2BC

BrCa2Mg

Ca2 Mg1 Br1

3

[ 1, 1, 1 ]

3

[ [ 6.51125824, 0.01447806, 0.01866985 ], [ 1.88680379, 6.23190696, -0.01866988 ], [ -3.07355262, -4.63635781, 3.38445003 ] ]

agm003823151

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

[ "Br", "Ca", "Ca", "Mg" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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3.142831

pbe

true

b1b9027f01f6096ea134e6a142a44038_71_Ca2Mg1Br1

[ "Ca", "Mn" ]

5

A4B

CaMn4

Ca1 Mn4

2

[ 1, 1, 1 ]

3

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agm005414110

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

[ "Ca", "Mn", "Mn", "Mn", "Mn" ]

2023-11-16 06:57:59

[ 0.2, 0.8 ]

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-30.054489

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15.39626

7.674546

pbe

true

c0ca564bffaee7637b1325acd28d6099_229_Ca1Mn4

[ "Ca", "Mo" ]

4

A3B

CaMo3

Ca1 Mo3

2

[ 1, 1, 1 ]

3

[ [ 4.78266062, 0, 0 ], [ 0, 4.78266062, 0 ], [ 0, 0, 3.08472069 ] ]

agm004137876

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

[ "Mo", "Mo", "Mo", "Ca" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

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0.000107

4.018466

pbe

true

21a4d59a89ee1e3622d7c977c208bf28_123_Ca1Mo3

[ "Cu", "Li", "Mn", "O", "Ti" ]

28

A16B4C3D3E2

Cu3Li4Mn2O16Ti3

Cu3 Li4 Mn2 O16 Ti3

5

[ 1, 1, 1 ]

3

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mp-752500

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

[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Mn", "Mn", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2015-01-07 10:05:48

[ 0.10714285714285714, 0.14285714285714285, 0.07142857142857142, 0.5714285714285714, 0.10714285714285714 ]

[]

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[]

6.349

2.847589

pbe

true

d1c8c5d3f5fb6c8e0b660b53bfa80821_1_Li4Ti3Mn2Cu3O16

[ "Cu", "Li", "Mn", "O", "V" ]

20

A12B4C2DE

CuLi2MnO12V4

Li2 Mn1 V4 Cu1 O12

5

[ 1, 1, 1 ]

3

[ [ 4.85263664, 5.16377269, 0.05841869 ], [ -4.85263664, 5.16377269, 0.05841869 ], [ 0, 2.14302205, 5.28606325 ] ]

agm005284299

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

[ "Li", "Li", "Mn", "V", "V", "V", "V", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.05, 0.1, 0.05, 0.6, 0.2 ]

[ [ 1.4173558, 0, 0 ], [ 0, 1.0227195, 0.0934421 ], [ 0, 0.09344241, 0.7914705 ] ]

-140.496316

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5.999904

5.790767

pbe

true

1aa5564cc647a585b45b0c9fd1732b14_5_Li2Mn1V4Cu1O12

[ "Cu", "Li", "Nb", "O", "Te" ]

28

A16B4C3D3E2

Cu3Li4Nb3O16Te2

Cu3 Li4 Nb3 O16 Te2

5

[ 1, 1, 1 ]

3

[ [ 6.23955507, 0.08271145, 0.03692017 ], [ -3.04814563, 5.27940907, 0.00000487 ], [ 0.05954507, 0.03439219, 10.58454068 ] ]

mp-774886

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

[ "Li", "Li", "Li", "Li", "Nb", "Nb", "Nb", "Cu", "Cu", "Cu", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-20 12:56:34

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]

[]

-183.033586

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[]

1.907

3.514555

pbe

true

f1fca48c5ccfcd1a246adba9b6575713_8_Li4Nb3Cu3Te2O16

[ "Cu", "Li", "Ni", "O", "Sb" ]

28

A16B4C3D3E2

Cu2Li4Ni3O16Sb3

Cu2 Li4 Ni3 O16 Sb3

5

[ 1, 1, 1 ]

3

[ [ 6.06270084, 0.01942535, -0.11111601 ], [ -3.0144966, 5.22145561, -0.00079225 ], [ -0.1809671, -0.1059764, 9.6669842 ] ]

mp-754442

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

[ "Li", "Li", "Li", "Li", "Cu", "Cu", "Ni", "Ni", "Ni", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-26 18:55:12

[ 0.07142857142857142, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.10714285714285714 ]

[]

-150.680765

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[]

-1.02

3.790954

pbe

true

4193f24fd9b71a5e97159c70dc0ad586_1_Li4Cu2Ni3Sb3O16

[ "Cu", "Li", "Ni", "O", "W" ]

28

A16B4C3D3E2

Cu3Li4Ni3O16W2

Cu3 Li4 Ni3 O16 W2

5

[ 1, 1, 1 ]

3

[ [ 5.93399433, 0.08951654, 0.17323455 ], [ -2.889684, 5.00440902, 0.00007768 ], [ 0.28133937, 0.16305862, 9.8566947 ] ]

mp-773508

[ [ 0.2781432540411062, 3.4963551088124913, 9.008393567598443 ], [ 3.3108465014236774, 5.249987271941436, 9.897376676353712 ], [ 0.20172484336189736, 0.11714141691527538, 4.810644543642124 ], [ 3.2005938788424615, 1.8473100428387437, 4.195768619483909 ], [ -1.3219194845660618, 4.244474096493889, 2.114103474422811 ], [ 0.12413983506242485, 1.7378967426855583, 2.1149279089734723 ], [ 1.7134387328432263, 0.9881128534608852, 7.081598481520737 ], [ 1.5737128256197994, 4.244915373400496, 2.238081295306379 ], [ 3.22418127509184, 3.506165717230162, 7.167087850464825 ], [ 4.647907140992155, 1.0407772918402445, 7.1671926303661335 ], [ 0.3751269282858009, 3.553613792352454, 4.886486372592203 ], [ 3.316131905192133, 1.915367929756848, 9.764907463623622 ], [ -1.2446427464551075, 4.230903111004731, 5.787139210621795 ], [ -1.0734965507932934, 2.717478126930797, 3.2967883251287358 ], [ 0.05320624095129864, 3.366985180827752, 1.2199202811962446 ], [ 0.10383334330243439, 0.059980604480300195, 2.938423162874703 ], [ 0.2570007063324174, 0.1515016799525514, 7.875656184340319 ], [ 0.14544893676927811, 1.813153262873972, 5.784432092203035 ], [ 0.28967257121804946, 5.012398395854429, 3.683638485364805 ], [ 1.5960707209685838, 2.7490860128558734, 3.6854504058829196 ], [ 1.4024934921342063, 0.8091772457598818, 0.9697044252636104 ], [ 1.6670230898422946, 4.298171374487037, 6.0199022859018365 ], [ 1.8677353590077466, 2.530733971613507, 8.47396997054328 ], [ 3.134219022875095, 0.35104788159363115, 8.47360936746479 ], [ 3.136331807273778, 1.809303687649254, 6.209276208208139 ], [ 2.8253901722453425, 3.2937506003540262, 0.911595528915179 ], [ 4.587852443180734, 2.650907639374402, 8.562999793010261 ], [ 4.264636810435183, 0.801460807112307, 0.9133440683355467 ] ]

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

[ "Li", "Li", "Li", "Li", "Cu", "Cu", "Cu", "Ni", "Ni", "Ni", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-19 15:59:31

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]

[]

-159.59357

[ 0.006, 0.003, 0.001, 0.003, 0.019, 0.02, 0.371, 1.741, 1.652, 1.646, 0.069, 0.027, 0.034, 0.014, 0.044, 0.026, -0.006, 0.034, 0.037, 0.037, -0.002, 0.024, 0.19, 0.193, -0.003, 0.036, 0.053, 0.037 ]

[]

6.306

2.633715

pbe

true

82c5eb58d49a7d5154dc65eb56c84b5d_8_Li4Cu3Ni3W2O16

[ "Br", "Ca", "Mo" ]

4

A2BC

Br2CaMo

Ca1 Mo1 Br2

3

[ 1, 1, 1 ]

3

[ [ 3.56627019, 0, 0 ], [ 0, 4.22226594, 0.00883049 ], [ 0, 2.09584194, 7.48703148 ] ]

agm003897252

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

[ "Mo", "Ca", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.2012907, 0, 0 ], [ 0, 1.3175857, -0.02392821 ], [ 0, -0.02392812, 1.4667592 ] ]

-17.244956

[ 1.633, 0.012, 0.024, -0.005 ]

[ [ 0, 0.00137579, -0.00449246 ], [ 0, 0.00073456, 0.00154314 ], [ 0, -0.00262569, -0.00302426 ], [ 0, 0.00051535, 0.00597358 ] ]

1.942604

1.284127

pbe

true

ba2f98dbacee8ca41817d4e3e014646d_6_Ca1Mo1Br2

[ "Co", "Re", "Rh" ]

4

A2BC

Co2ReRh

Co2 Re1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 4.22893302, 0, 0 ], [ 0, 2.60104499, -0.01077776 ], [ 0, 0.57577474, 4.76944689 ] ]

agm004168988

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

[ "Co", "Co", "Re", "Rh" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 9.120664, 0, 0 ], [ 0, 9.357501, -0.228199 ], [ 0, -0.22819941, 9.495837 ] ]

-32.990511

[ 1.404, 1.404, 0.072, 0.274 ]

[ [ 0, -0.00232987, -0.00341276 ], [ 0, 0.00232987, 0.00341276 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.115803

5.231285

pbe

true

973e298be3a6a42bda00835dc6f3a172_10_Co2Re1Rh1

[ "Cu", "Mg", "Nb", "O", "Ti" ]

20

A12B3C2D2E

Cu3MgNb2O12Ti2

Cu3 Mg1 Nb2 O12 Ti2

5

[ 1, 1, 1 ]

3

[ [ -3.7799827, 3.78083041, 3.79059993 ], [ 3.780015, -3.7808897, 3.79069218 ], [ 3.78452663, 3.78537207, -3.79065879 ] ]

mp-2230186

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

[ "Mg", "Ti", "Ti", "Nb", "Nb", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-04-30 17:53:34

[ 0.15, 0.05, 0.1, 0.6, 0.1 ]

[ [ -1.21952687, 1.3703202, -0.04745119 ], [ 1.37031973, -0.03108222, -0.03817815 ], [ -0.04745071, -0.03817824, -0.76822157 ] ]

-150.56993

[ -0.001, -0.011, -0.011, -0.023, -0.024, 0.25, 0.244, 0.258, 0.03, 0.025, 0.025, 0.024, 0.024, 0.022, 0.022, 0.024, 0.024, 0.025, 0.025, 0.03 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.02905588, 0.01997592, -0.00018665 ], [ 0.00844443, -0.01220605, -0.0114765 ], [ -0.00910695, 0.01185318, -0.01069567 ], [ -0.02796246, -0.00080455, 0.00518697 ], [ -0.02777154, -0.0006675, -0.00582091 ], [ -0.01388294, 0.01147834, -0.00012518 ], [ 0.01388294, -0.01147834, 0.00012518 ], [ 0.02777154, 0.0006675, 0.00582091 ], [ 0.02796246, 0.00080455, -0.00518697 ], [ 0.00910695, -0.01185318, 0.01069567 ], [ -0.00844443, 0.01220605, 0.0114765 ], [ 0.02905588, -0.01997592, 0.00018665 ] ]

0.982

5.019966

pbe

true

35f962330c38fc13d397859112663b88_12_Mg1Ti2Nb2Cu3O12

[ "Cu", "Mg", "O", "P", "Ti" ]

36

A12B3CDE

CuMgO12P3Ti

Cu2 Mg2 O24 P6 Ti2

5

[ 1, 1, 1 ]

3

[ [ 8.47995127, -0.20806392, -0.14509907 ], [ 4.30139947, 7.31100749, -0.14509912 ], [ 4.30139937, 2.39040498, 6.91070493 ] ]

mp-1043770

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

[ "Mg", "Mg", "Ti", "Ti", "Cu", "Cu", "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" ]

2017-12-04 10:08:03

[ 0.05555555555555555, 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.05555555555555555 ]

[]

-256.152657

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

[]

0

1.839757

pbe

true

d41ca0e09e5d1d74ae7db3fb377a89d5_161_Mg2Ti2Cu2P6O24

[ "Cu", "Mg", "O", "Se", "Tl" ]

16

A10B2C2DE

Cu2MgO10Se2Tl

Cu2 Mg1 O10 Se2 Tl1

5

[ 1, 1, 1 ]

3

[ [ 4.4583874, 3.20512085, -2.59673497 ], [ -4.45834669, 3.2049683, 2.59676218 ], [ -0.7962074, 0.00002153, 8.68258254 ] ]

mp-2232902

[ [ 0.42968721095639734, 3.204965299906157, 1.0776417937039298 ], [ -0.37214464040665607, 3.2056221065078807, 4.623926936940137 ], [ 2.222139680719948, 4.8065068843931655, -1.2367167304989597 ], [ 2.222111162062051, 1.6038029528131892, -1.2368408723074484 ], [ 3.158656717233926, 3.2054099646838763, 4.01587781147224 ], [ -3.843494505797374, 3.2045771715749094, 4.668644544937417 ], [ 2.2409021151805266, 3.2057805816302314, 5.400512254287157 ], [ -2.889490487979279, 3.204375131806598, 3.3033295012367034 ], [ 2.2349162156404905, 3.2051587419421113, 2.6260063481953058 ], [ -3.0421058531248457, 3.2046633253522767, 6.092493354174537 ], [ -0.31226227769291004, 1.3985412818656133, 6.590885356894761 ], [ -0.312637772452533, 5.01153469545117, 6.591821665747355 ], [ -0.34534925046124776, 4.969281688294591, 1.974051755952045 ], [ -0.3452996977875544, 1.4405216186451517, 1.9739078246053112 ], [ -2.3740633142056886, 3.205012912109645, 9.396268199673344 ], [ 1.6960197164540565, 3.2052030896145887, -0.4222327555753662 ] ]

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

[ "Mg", "Tl", "Cu", "Cu", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-05-01 01:48:57

[ 0.125, 0.0625, 0.625, 0.125, 0.0625 ]

[ [ 2.97147378, 0.1477557, -0.7205014 ], [ 0.14775572, 3.66938111, 0.21790849 ], [ -0.72050163, 0.21790848, 2.92204171 ] ]

-81.987072

[ 0.004, 0.004, 0.268, 0.266, 0.007, 0.005, 0.002, 0.007, 0.017, 0.009, 0.033, 0.034, 0.022, 0.023, 0.124, 0.097 ]

[ [ 0.00560044, -0.00167814, -0.02793231 ], [ -0.01139723, -0.00006778, -0.00663151 ], [ 0.01281313, 0.00527615, -0.0025064 ], [ 0.01489564, -0.00809151, -0.00386867 ], [ -0.01100509, -0.00884654, 0.0105935 ], [ 0.01701749, 0.00988067, -0.00762155 ], [ 0.00253083, -0.00001662, 0.03212514 ], [ 0.00513346, 0.00038468, -0.00023534 ], [ 0.00214034, 0.00039076, 0.00723052 ], [ -0.01764081, -0.0007281, 0.00063437 ], [ 0.02584526, 0.02115195, 0.01308575 ], [ 0.01012848, -0.00882892, 0.0091579 ], [ -0.013414, 0.00153235, -0.00704168 ], [ 0.00359732, -0.01151219, -0.0054162 ], [ -0.01909402, 0.01303845, -0.02451495 ], [ -0.02715125, -0.01188522, 0.01294142 ] ]

0.922

2.027379

pbe

true

34da069e81c9745235f81d146ba03d4e_8_Mg1Tl1Cu2Se2O10

[ "Br", "Ca", "Na" ]

5

A2B2C

Br2Ca2Na

Na1 Ca2 Br2

3

[ 1, 1, 1 ]

3

[ [ 5.07541301, 0, 0 ], [ 0, 5.07541301, 0 ], [ 2.5377065, 2.5377065, 7.02727979 ] ]

agm002935493

[ [ 0, 0, 0 ], [ 2.5377065036725406, 2.5377065036725406, 1.8656853010963177 ], [ 5.075413006327459, 5.075413006327459, 5.161594488903682 ], [ 5.0754130075, 2.5377065025, 3.513639895 ], [ 2.5377065025, 5.0754130075, 3.513639895 ] ]

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

[ "Na", "Ca", "Ca", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 0.74624777, 0, 0 ], [ 0, 0.74624777, 0 ], [ 0, 0, 0.48084727 ] ]

-13.976246

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00009231 ], [ 0, 0, -0.00009231 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.069076

pbe

true

c2ddce4b68a64f92f321485939c418c6_139_Na1Ca2Br2

[ "Br", "Ca", "Re" ]

4

A2BC

BrCa2Re

Ca2 Re1 Br1

3

[ 1, 1, 1 ]

3

[ [ 6.39811823, -0.00001957, 0 ], [ 3.5591936, 5.31677137, 0 ], [ -4.97865237, -2.65837401, 3.0136332 ] ]

agm003824432

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

[ "Re", "Ca", "Ca", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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-16.244336

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2.104441

3.928718

pbe

true

3c6da66e46e4ba019e5872418ad79102_119_Ca2Re1Br1

[ "Cu", "Mn", "O", "P", "Zr" ]

71

A48B12C8D2E

Cu2MnO48P12Zr8

Zr8 Mn1 Cu2 P12 O48

5

[ 1, 1, 1 ]

3

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agm005284837

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[ "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Zr", "Mn", "Cu", "Cu", "P", "P", "P", "P", "P", "P", "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", "O", "O", "O", "O", "O", "O", "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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-569.966562

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5.14926

0

pbe

true

f72e9f47122bcfd014da44a0cb96e9a5_2_Zr8Mn1Cu2P12O48

[ "Br", "Ca", "Te" ]

3

ABC

BrCaTe

Ca1 Te1 Br1

3

[ 1, 1, 1 ]

3

[ [ 3.99786457, 0, 0 ], [ -1.99893228, 3.46225228, 0 ], [ 0, 0, 8.07792999 ] ]

agm004261522

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

[ "Ca", "Te", "Br" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.4952106, 0, 0 ], [ 0, 0.4952106, 0 ], [ 0, 0, 0.38164362 ] ]

-10.657408

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0.000012

1.528689

pbe

true

cc48f0271baade8621e901c678c11ac8_156_Ca1Te1Br1

[ "Cl", "Ir" ]

4

AB

ClIr

Ir2 Cl2

2

[ 1, 1, 1 ]

3

[ [ 9.64275272, 0.05204367, 0.03060362 ], [ 9.13865565, 3.07739523, 0.03060362 ], [ 9.13865565, 1.52272204, 2.67443743 ] ]

agm003852299

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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"]}]

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

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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-20.105459

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-0.000031

3.687272

pbe

true

6164e8c2c145f5a618897f04081d6ae7_166_Ir2Cl2

[ "Cu", "Mo", "O", "Sr", "Y" ]

26

A7B2C2DE

Cu2MoO7Sr2Y

Sr4 Y2 Cu4 Mo2 O14

5

[ 1, 1, 1 ]

3

[ [ 11.89327507, 3.87995695, -0.00474467 ], [ -11.89327507, 3.87995695, -0.00474467 ], [ 0, 3.87377595, 3.96345319 ] ]

agm005279425

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

[ "Sr", "Sr", "Sr", "Sr", "Y", "Y", "Cu", "Cu", "Cu", "Cu", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.15384615384615385, 0.07692307692307693, 0.5384615384615384, 0.15384615384615385, 0.07692307692307693 ]

[ [ 0.47221178, 0, 0 ], [ 0, 0.49167538, 0.02127884 ], [ 0, 0.02127871, 0.44610888 ] ]

-171.147399

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2.68595

6.672947

pbe

true

9c722185437619841f0a38e8f18e4d5f_8_Sr4Y2Cu4Mo2O14

[ "Co", "Re", "Sc" ]

4

A2BC

CoReSc2

Sc2 Co1 Re1

3

[ 1, 1, 1 ]

3

[ [ 4.52819828, 0, 0 ], [ 2.26409914, 3.92153474, 0 ], [ 2.26409914, 1.30717825, 3.69725841 ] ]

agm002183906

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[ "Sc", "Sc", "Re", "Co" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-32.359999

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0.498563

5.915397

pbe

true

cc01c6ca20ed4f297bed728ebbdefb77_225_Sc2Co1Re1

[ "Co", "Re", "Tl" ]

4

A2BC

CoReTl2

Tl2 Co1 Re1

3

[ 1, 1, 1 ]

3

[ [ 4.63823856, 0.01969838, 0 ], [ -0.02476988, 4.63821425, 0 ], [ 0, 0, 3.30360696 ] ]

agm004089598

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

[ "Co", "Re", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 7.7543893, 0.16973156, 0 ], [ 0.16973156, 7.7576437, 0 ], [ 0, 0, 7.7665663 ] ]

-20.190826

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1.013428

6.754871

pbe

true

cf2e571c1ef22e738cf8a938348129f8_123_Tl2Co1Re1

[ "Cu", "Nb", "O", "P", "Ti" ]

36

A24B6C3D2E

Cu2NbO24P6Ti3

Cu2 Nb1 O24 P6 Ti3

5

[ 1, 1, 1 ]

3

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mp-776025

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[ "Ti", "Ti", "Ti", "Nb", "Cu", "Cu", "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 08:59:00

[ 0.05555555555555555, 0.027777777777777776, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[]

-275.552788

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[]

0.899

3.773474

pbe

true

f289bd00e51f80a57b38edc8eef76111_146_Ti3Nb1Cu2P6O24

[ "Co", "Re", "V" ]

4

A2BC

CoReV2

V2 Co1 Re1

3

[ 1, 1, 1 ]

3

[ [ 4.20753734, 0, 0 ], [ 2.10376867, 3.64383423, 0 ], [ 2.10376867, 1.21461141, 3.43543986 ] ]

agm001100014

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

[ "Re", "Co", "V", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.9716306, 0, 0 ], [ 0, 5.9716306, 0 ], [ 0, 0, 5.9716306 ] ]

-38.56676

[ -0.06, 1.181, 0.269, 0.269 ]

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1.654471

2.990778

pbe

true

df5bcc1b4eafd921d0c8ed830a2704d4_225_V2Co1Re1

[ "Cu", "Nd", "O", "Sr", "Ta" ]

28

A8B2C2DE

Cu2NdO8Sr2Ta

Cu4 Nd2 O16 Sr4 Ta2

5

[ 1, 1, 1 ]

3

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mp-1173255

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

[ "Sr", "Sr", "Sr", "Sr", "Nd", "Nd", "Ta", "Ta", "Cu", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-11 01:29:07

[ 0.14285714285714285, 0.07142857142857142, 0.5714285714285714, 0.14285714285714285, 0.07142857142857142 ]

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-202.158681

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[ [ 0.02360112, 0.02486613, -0.00160088 ], [ -0.0124671, -0.01313533, -0.01070272 ], [ 0.0124671, 0.01313533, 0.01070272 ], [ -0.02360112, -0.02486613, 0.00160088 ], [ 0.00437598, 0.00461053, 0.01661382 ], [ -0.00437598, -0.00461053, -0.01661382 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.04792757, -0.05389915, 0.02415506 ], [ 0.05132561, 0.05067398, -0.02415506 ], [ -0.05132561, -0.05067398, 0.02415506 ], [ 0.04792757, 0.05389915, -0.02415506 ], [ -0.01769992, 0.01679947, 0 ], [ 0.0481496, 0.0827363, -0.00979396 ], [ 0.01068228, -0.00053215, 0.1070868 ], [ -0.01557887, -0.01641389, -0.01841351 ], [ 0.0182477, 0.01922577, -0.03352585 ], [ -0.01906235, -0.02008409, 0.02949851 ], [ 0.00108867, -0.01063998, -0.1070868 ], [ -0.00108867, 0.01063998, 0.1070868 ], [ -0.08011191, -0.05240001, 0.00979397 ], [ -0.0182477, -0.01922577, 0.03352585 ], [ 0.01557887, 0.01641389, 0.01841351 ], [ -0.01068228, 0.00053215, -0.1070868 ], [ -0.0481496, -0.0827363, 0.00979396 ], [ 0.01769992, -0.01679947, 0 ], [ 0.08011191, 0.05240001, -0.00979397 ], [ 0.01906235, 0.02008409, -0.02949851 ] ]

0.024

3.928042

pbe

true

3f081aa25861500ce9d6a78d434c5cba_12_Sr4Nd2Ta2Cu4O16

[ "Cu", "Lu", "Rb", "S", "Te" ]

16

A3B2CDE

CuLu2RbS3Te

Cu1 Lu2 Rb1 S3 Te1

5

[ 1, 1, 1 ]

3

[ [ 2.016113138, -6.959919093, 0 ], [ 2.016113138, 6.959919093, 0 ], [ 0, 0, 14.065342671 ] ]

oqmd-7677690

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

[ "Cu", "Cu", "Lu", "Lu", "Lu", "Lu", "Rb", "Rb", "S", "S", "S", "S", "S", "S", "Te", "Te" ]

2024-11-01 00:00:00

[ 0.125, 0.25, 0.125, 0.375, 0.125 ]

[ [ 2.37857632, 0, 0 ], [ 0, 2.86877048, 0 ], [ 0, 0, 5.86801335 ] ]

-81.7063

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0.005456

null

pbe

true

700f8538daf186885a3cec329c8ef14b_63_Rb2Lu4Cu2Te2S6

[ "Cu", "Mn", "O", "Pr", "Sr" ]

14

A8B2C2DE

CuMnO8Pr2Sr2

Sr2 Pr2 Mn1 Cu1 O8

5

[ 1, 1, 1 ]

3

[ [ 3.86099872, 0, 0 ], [ 0, 3.86099872, 0 ], [ 0, 0, 12.70702187 ] ]

agm005285827

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

[ "Sr", "Sr", "Pr", "Pr", "Mn", "Cu", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.07142857142857142, 0.07142857142857142, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]

[ [ 0.5328619, 0, 0 ], [ 0, 0.5328619, 0 ], [ 0, 0, 0.6277868 ] ]

-97.450877

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pbe

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12

A2BCDE

CuNaSeTcTe2

Cu1 Na1 Se1 Tc1 Te2

5

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3

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[ "Cu", "Cu", "Na", "Na", "Se", "Se", "Tc", "Tc", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

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4.31501

null

pbe

true

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[ "Co", "Rh", "Ru" ]

4

A2BC

Co2RhRu

Co2 Ru1 Rh1

3

[ 1, 1, 1 ]

3

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agm004289384

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[ "Co", "Co", "Rh", "Ru" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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[ 1.964, 1.852, 0.65, 0.861 ]

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5.286716

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pbe

true

329ede9c9bba217a8d00952a0181cef9_47_Co2Ru1Rh1

[ "Ho", "S" ]

5

A3B2

Ho2S3

Ho2 S3

2

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3

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agm2000047821

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[ "S", "S", "S", "Ho", "Ho" ]

2023-11-16 06:57:59

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0.000001

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pbe

true

69bc593bcac0796e729154773e600ceb_183_Ho2S3

[ "Cu", "O", "P", "Pb", "S" ]

28

A9B2CDE

CuO9PPb2S

Cu2 P2 Pb4 S2 O18

5

[ 1, 1, 1 ]

3

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agm003234966

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2023-11-16 06:57:59

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0

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pbe

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3cb99bf38e6a95a875e85997c9dd03d0_11_Cu2P2Pb4S2O18

[ "Cu", "O", "P", "Sb", "Ti" ]

36

A24B6C3D2E

Cu2O24P6SbTi3

Cu2 O24 P6 Sb1 Ti3

5

[ 1, 1, 1 ]

3

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mp-776173

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2014-02-21 13:26:21

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[]

0.921

3.381434

pbe

true

b3ad2efe2beb082aa2a2e68b61042e4a_146_Ti3Cu2Sb1P6O24

[ "Cu", "O", "P", "Ti", "Zn" ]

36

A12B3CDE

CuO12P3TiZn

Cu2 O24 P6 Ti2 Zn2

5

[ 1, 1, 1 ]

3

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mp-1043819

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2017-12-04 11:55:31

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[]

0

1.651151

pbe

true

0a2083134b6c2e645147d6a6bb4dfe5b_161_Ti2Zn2Cu2P6O24

[ "Nd", "Pd", "Y" ]

12

A3B2C

NdPd3Y2

Nd2 Y4 Pd6

3

[ 1, 1, 1 ]

3

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[ "Nd", "Nd", "Y", "Y", "Y", "Y", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

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c4ed2459e5ecca18089498ff94ac13e7_65_Nd2Y4Pd6

[ "Cu", "Nb", "Rb", "S", "Te" ]

12

A2BCDE

CuNbRbSTe2

Cu1 Nb1 Rb1 S1 Te2

5

[ 1, 1, 1 ]

3

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oqmd-7437310

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[ "Cu", "Cu", "Nb", "Nb", "Rb", "Rb", "S", "S", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

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1.08112

null

pbe

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cf032818df2a6b5a0f9ef892ce60cefa_63_Rb2Nb2Cu2Te4S2

[ "Cu", "O", "Pb", "Sr", "Y" ]

32

A8B3C2D2E

Cu3O8Pb2Sr2Y

Cu6 O16 Pb4 Sr4 Y2

5

[ 1, 1, 1 ]

3

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mp-578628

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

[ "Sr", "Sr", "Sr", "Sr", "Y", "Y", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-15 03:50:42

[ 0.1875, 0.5, 0.125, 0.125, 0.0625 ]

[]

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[]

0

5.344871

pbe

true

da4b93f072b2240949d1f5659b6e6e1e_26_Sr4Y2Cu6Pb4O16

[ "Nd", "Pd", "Zn" ]

3

ABC

NdPdZn

Nd1 Zn1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 3.06342099, 0, 0 ], [ 0, 3.06342099, 0 ], [ -1.53171049, -1.53171049, 7.47203167 ] ]

agm001848688

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

[ "Zn", "Nd", "Pd" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.551862, 0, 0 ], [ 0, 3.551862, 0 ], [ 0, 0, 3.2771313 ] ]

-10.565509

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0.000005

1.776355

pbe

true

80c7a2f6f82e2fe347bda54c47b2f5f1_107_Nd1Zn1Pd1

[ "Ir", "Rh" ]

4

A3B

IrRh3

Ir1 Rh3

2

[ 1, 1, 1 ]

3

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agm003185937

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

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

2023-11-16 06:57:59

[ 0.25, 0.75 ]

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-30.868865

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0.000749

7.011097

pbe

true

3a9a88a1f33f8333ac433eedcd86aa5c_12_Ir1Rh3

[ "Cu", "O", "Sr", "Ta", "Y" ]

26

A7B2C2DE

Cu2O7Sr2TaY

Sr4 Y2 Ta2 Cu4 O14

5

[ 1, 1, 1 ]

3

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agm005269822

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

[ "Sr", "Sr", "Sr", "Sr", "Y", "Y", "Ta", "Ta", "Cu", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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0.000059

2.049688

pbe

true

8e7c75a7d662fe42ad7180b4150b3fb3_8_Sr4Y2Ta2Cu4O14

[ "Nd", "Pr", "Sb" ]

10

A5B4C

Nd5PrSb4

Pr1 Nd5 Sb4

3

[ 1, 1, 1 ]

3

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agm003654726

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[ "Pr", "Nd", "Nd", "Nd", "Nd", "Nd", "Sb", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.5, 0.1, 0.4 ]

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-53.054905

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7.663661

pbe

true

1de67663ed30207b87a2b0b77d9c6778_12_Pr1Nd5Sb4

[ "Cu", "Rb", "S", "Tc", "Te" ]

12

A2BCDE

CuRbSTcTe2

Cu1 Rb1 S1 Tc1 Te2

5

[ 1, 1, 1 ]

3

[ [ 1.933092999, -8.282299813, 0 ], [ 1.933092999, 8.282299813, 0 ], [ 0, 0, 9.876628689 ] ]

oqmd-7437384

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

[ "Cu", "Cu", "Rb", "Rb", "S", "S", "Tc", "Tc", "Te", "Te", "Te", "Te" ]

2024-11-01 00:00:00

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2023-11-16 06:57:59

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Mg1 Pt3

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2023-11-16 06:57:59

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La3 Sb2 Cl1

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2023-11-16 06:57:59

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Sm4 Nb1

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Ta3 Nb1

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CoRuSe2

Co1 Ru1 Se2

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Nb2 Te2

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Dy4 F1 Na5 O16 Si4

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3

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DyFe6O34P8Rb7

Rb7 Dy1 Fe6 P8 O34

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2023-11-16 06:57:59

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14.024411

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pbe

true

4801bb2a186f52e439af81c0971d8897_2_Rb7Dy1Fe6P8O34

[ "Co", "Ru", "Ta" ]

4

A2BC

CoRu2Ta

Ta1 Co1 Ru2

3

[ 1, 1, 1 ]

3

[ [ 4.6571059, -0.01540215, 0 ], [ 1.45105706, 4.42530292, 0 ], [ -3.05408288, -2.2049514, 2.73854696 ] ]

agm004016777

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[ "Co", "Ru", "Ru", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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-37.836449

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5.232564

pbe

true

a6427a06d43b0da20d1dddda6cfdfc11_139_Ta1Co1Ru2

[ "Bi", "Si", "Th" ]

16

A5B2C

BiSi2Th5

Th10 Si4 Bi2

3

[ 1, 1, 1 ]

3

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agm005914186

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

[ "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Th", "Si", "Si", "Si", "Si", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.625 ]

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-112.349746

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0.003649

16.780792

pbe

true

f551a549f6f388b6b14bf35bfd4f2074_140_Th10Si4Bi2

[ "Bi", "Si", "Ti" ]

11

A8B2C

Bi2SiTi8

Ti8 Si1 Bi2

3

[ 1, 1, 1 ]

3

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agm003526374

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

[ "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Si", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.09090909090909091, 0.7272727272727273 ]

[ [ 4.446209, 0, 0 ], [ 0, 4.263849, -0.04567527 ], [ 0, -0.0456734, 4.4490485 ] ]

-78.33546

[ 0, 0, 0, -0.002, 0, 0, 0, -0.002, 0, 0, 0 ]

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-0.004999

12.462591

pbe

true

cb762dd435212bc864181e1dfc68a016_12_Ti8Si1Bi2

[ "Er", "K", "O", "P", "Ti" ]

76

A12B3C2DE

ErK2O12P3Ti

Er4 K8 O48 P12 Ti4

5

[ 1, 1, 1 ]

3

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mp-677014

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2013-11-17 17:23:42

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mp-556289

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2014-02-18 18:48:36

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A32B12C9D3E2

Eu3F2K9O32Si12

Eu3 F2 K9 O32 Si12

5

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3

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mp-555060

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2014-03-07 17:22:15

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[]

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true

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[ "Bi", "Si", "Tl" ]

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3

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3

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[ "Tl", "Si", "Bi", "Bi" ]

2023-11-16 06:57:59

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db53755993799d65bf950dce1c27f973_225_Tl1Si1Bi2

[ "Eu", "Fe", "O", "P", "Rb" ]

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A34B8C7D6E

EuFe6O34P8Rb7

Eu1 Fe6 O34 P8 Rb7

5

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3

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mp-1198666

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2019-01-12 03:24:24

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-382.502199

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35.188

1.077848

pbe

true

943d9f48963884ef8ffd67483ad2331d_2_Rb7Eu1Fe6P8O34

[ "Nd", "Pr", "Se" ]

4

A2BC

NdPrSe2

Pr1 Nd1 Se2

3

[ 1, 1, 1 ]

3

[ [ 5.19112293, 0, 0 ], [ 2.59556146, 4.49564433, 0 ], [ 2.59556146, 1.49854811, 4.23853412 ] ]

agm001111608

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[ "Pr", "Nd", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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0.000236

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pbe

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570aa34102b4c94eb54ba58890692e9f_225_Pr1Nd1Se2

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

4

A2BC

Au2IrTe

Te1 Ir1 Au2

3

[ 1, 1, 1 ]

3

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agm004271824

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

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-16.583267

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0.000281

3.599632

pbe

true

9e658a03a57339b1c89ff1f6586953ce_65_Te1Ir1Au2

[ "C", "Cr", "K", "O", "P" ]

24

A7B2CDE

CCrK2O7P

C2 Cr2 K4 O14 P2

5

[ 1, 1, 1 ]

3

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mp-756910

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[ "K", "K", "K", "K", "Cr", "Cr", "P", "P", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2020-06-03 11:18:40

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-166.047064

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5.796

-0.045949

pbe

true

53dce8cf152ba0dd28ef87267b82b28b_11_K4Cr2P2C2O14

[ "C", "Cr", "Na", "O", "P" ]

56

A16B5C4D2E

C4Cr2Na5O16P

C8 Cr4 Na10 O32 P2

5

[ 1, 1, 1 ]

3

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mp-776311

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2014-02-22 10:26:33

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[]

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[]

11.634

2.282732

pbe

true

e2d28fd70ea4a0bd98e07a4451053adc_15_Na10Cr4P2C8O32

[ "Eu", "La", "Nb", "O", "Sr" ]

40

A6BCDE

EuLaNbO6Sr

Eu4 La4 Nb4 O24 Sr4

5

[ 1, 1, 1 ]

3

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mp-1519835

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2020-05-08 08:48:29

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27.405

5.488767

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true

2924bf1d24e9789622a7e14578d2e387_16_Sr4La4Eu4Nb4O24

[ "Nd", "Pr", "Tc" ]

4

A2BC

NdPr2Tc

Pr2 Nd1 Tc1

3

[ 1, 1, 1 ]

3

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agm001972077

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[ "Pr", "Pr", "Nd", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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pbe

true

a08cd917dd8fe7079c3ee81bb9fb959e_166_Pr2Nd1Tc1

[ "Eu", "La", "O", "Sb", "Sr" ]

20

A6BCDE

EuLaO6SbSr

Sr2 La2 Eu2 Sb2 O12

5

[ 1, 1, 1 ]

3

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agm005271501

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

[ "Sr", "Sr", "La", "La", "Eu", "Eu", "Sb", "Sb", "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 ]

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13.994155

37.577225

pbe

true

3fc47366b79e2e86d5d633976532e666_2_Sr2La2Eu2Sb2O12

[ "Eu", "Li", "O", "Sr", "Te" ]

20

A6BCDE

EuLiO6SrTe

Sr2 Li2 Eu2 Te2 O12

5

[ 1, 1, 1 ]

3

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agm005232260

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

[ "Sr", "Sr", "Li", "Li", "Eu", "Eu", "Te", "Te", "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 ]

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11.975149

20.189857

pbe

true

5bce984d4511dac8e6e43201161f1289_7_Sr2Li2Eu2Te2O12

[ "Nd", "Pr", "Te" ]

4

A2BC

Nd2PrTe

Pr1 Nd2 Te1

3

[ 1, 1, 1 ]

3

[ [ 3.9749211, 0, 0 ], [ 1.98746055, 3.44238265, 0 ], [ 1.98746055, 1.14746088, 10.94497218 ] ]

agm001949184

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[ "Pr", "Te", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-18.747832

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1.168024

5.684792

pbe

true

44936ced0eb8f0649d65196e59b7d7cc_166_Pr1Nd2Te1

[ "Co", "Sb", "Zn" ]

4

A2BC

CoSb2Zn

Zn1 Co1 Sb2

3

[ 1, 1, 1 ]

3

[ [ 5.74795063, -0.02173529, 0 ], [ 3.0314944, 4.88358993, 0 ], [ -4.38972158, -2.4309268, 2.80363129 ] ]

agm004417319

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

[ "Co", "Sb", "Sb", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.7616305, -0.09878921, 6.5e-7 ], [ -0.09878921, 1.8853151, 3.6e-7 ], [ 6.5e-7, 3.6e-7, 1.940025 ] ]

-14.947314

[ 1.203, -0.005, -0.023, 0.015 ]

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

1.143993

4.419683

pbe

true

3c8298852657de6387b9210747e8bced_119_Zn1Co1Sb2

[ "F", "Fe", "H", "K", "O" ]

44

A5B2C2DE

F5FeH2K2O

F20 Fe4 H8 K8 O4

5

[ 1, 1, 1 ]

3

[ [ 0.00000244, 7.98974476, 0.00000583 ], [ -9.83557893, -0.00000218, 1.10788583 ], [ -0.00145005, 0.0000059, 8.00107968 ] ]

mp-696335

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

[ "K", "K", "K", "K", "K", "K", "K", "K", "Fe", "Fe", "Fe", "Fe", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2020-04-25 12:47:22

[ 0.45454545454545453, 0.09090909090909091, 0.18181818181818182, 0.18181818181818182, 0.09090909090909091 ]

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-215.757738

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0.001

-2.476128

pbe

true

d7f6253a16c6aa40a4ecaf37bcf4aec1_15_K8Fe4H8O4F20

[ "Bi", "Sn", "Sr" ]

10

A2B2C

BiSn2Sr2

Sr4 Sn4 Bi2

3

[ 1, 1, 1 ]

3

[ [ 8.35589995, 0, 0 ], [ 0, 8.35589995, 0 ], [ 0, 0, 4.86766111 ] ]

agm003021045

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

[ "Sr", "Sr", "Sr", "Sr", "Bi", "Bi", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 2.0382943, 0, 0 ], [ 0, 2.0382943, 0 ], [ 0, 0, 2.161956 ] ]

-36.669558

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

[ [ 0.00301785, 0.00301785, 0 ], [ 0.00301785, -0.00301785, 0 ], [ -0.00301785, -0.00301785, 0 ], [ -0.00301785, 0.00301785, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.01296414, 0.01296414, 0 ], [ 0.01296414, -0.01296414, 0 ], [ -0.01296414, -0.01296414, 0 ], [ -0.01296414, 0.01296414, 0 ] ]

0

2.865418

pbe

true

e2052b051ebcc0f316d2a94d5e6fd69d_127_Sr4Sn4Bi2

[ "F", "Fe", "K", "O", "P" ]

60

A7B2C2D2E2

F2Fe2K2O7P2

F8 Fe8 K8 O28 P8

5

[ 1, 1, 1 ]

3

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mp-651601

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2014-03-05 20:23:08

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2023-11-16 06:57:59

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2014-05-02 14:57:37

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2019-01-12 00:26:58

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2023-11-16 06:57:59

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mp-703461

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2014-05-08 21:20:03

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F4H7InN2O

F16 H28 In4 N8 O4

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2013-12-19 17:57:00

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2014-02-25 04:19:43

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2023-11-16 06:57:59

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[ "K", "K", "K", "K", "P", "P", "P", "P", "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", "F", "F", "F", "F" ]

2014-05-06 04:10:40

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[]

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Sr1 Tl1 Bi1

3

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agm001240146

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[ "Sr", "Tl", "Bi" ]

2023-11-16 06:57:59

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