LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "K", "N", "Ni", "O", "Y" ]

88

A24B12C5D2E

K5N12Ni2O24Y

K10 N24 Ni4 O48 Y2

5

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mp-687239

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2013-11-23 06:08:35

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[]

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[ "K", "Na", "Nd", "O", "Ta" ]

18

A5BCDE

KNaNdO5Ta

K2 Na2 Nd2 O10 Ta2

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mp-861607

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2014-08-22 13:39:59

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[]

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48

A7B2CDE

KNaO7P2Zn

K4 Na4 O28 P8 Zn4

5

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3

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mp-554157

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2014-03-06 04:51:52

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[ "K", "Na", "O", "Si", "Sn" ]

64

A20B6C3D2E

K3NaO20Si6Sn2

K6 Na2 O40 Si12 Sn4

5

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3

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2014-02-27 04:36:11

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2014-03-07 08:07:38

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2023-11-16 06:57:59

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mp-677017

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2013-11-18 03:47:29

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A48B25C8D7E5

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La7 Li25 Nb8 O48 Sr5

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mp-686239

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2013-11-16 00:01:41

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20

A6BCDE

LaLiNdO6Sb

Li2 La2 Nd2 Sb2 O12

5

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3

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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LaMgNaO12S3

La6 Mg6 Na6 O72 S18

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mp-2714164

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2022-06-29 22:13:42

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-694.15914

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[ "La", "Mg", "O", "Sr", "Ti" ]

100

A60B17C14D6E3

La6Mg3O60Sr14Ti17

La6 Mg3 O60 Sr14 Ti17

5

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3

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mp-686467

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2013-11-18 07:12:22

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[]

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[]

0

4.005903

pbe

true

7043fd21111b2a85066eac34b83e9732_8_Sr14La6Mg3Ti17O60

[ "La", "Mn", "O", "Sr", "Zn" ]

56

A8B2C2DE

La2MnO8Sr2Zn

La8 Mn4 O32 Sr8 Zn4

5

[ 1, 1, 1 ]

3

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mp-1218782

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2020-04-29 15:30:42

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4.41847

pbe

true

bd9ecc07138c75bdcbac6191917bed9b_38_Sr8La8Mn4Zn4O32

[ "La", "Na", "Nb", "O", "Si" ]

246

A48B14C12D5E3

La3Na14Nb5O48Si12

La9 Na42 Nb15 O144 Si36

5

[ 1, 1, 1 ]

3

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mp-2712988

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

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2022-06-30 02:15:25

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pbe

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A12B3C2D2E

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Na3 La1 Ti2 Nb2 O12

5

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2023-11-16 06:57:59

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A24B6C6D3E

LaNa6O24Si6Ta3

La3 Na18 O72 Si18 Ta9

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2022-06-30 10:06:43

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2013-12-01 10:10:55

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[]

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La7Na7O54Th2Ti18

La7 Na7 O54 Th2 Ti18

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mp-1173844

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2019-01-11 01:56:23

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50

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mp-1173168

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2019-01-11 01:25:12

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2022-06-29 20:53:26

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mp-760948

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2014-02-14 00:23:11

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[]

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A16B4C3D3E2

Li4Mn3Nb3O16Ti2

Li4 Mn3 Nb3 O16 Ti2

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mp-758756

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2015-01-30 05:43:59

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[]

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[]

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true

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

40

A24B6C4D3E3

Li4Mn3Ni3O24P6

Li4 Mn3 Ni3 O24 P6

5

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3

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mp-775926

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2014-02-23 11:35:57

[ 0.1, 0.075, 0.075, 0.6, 0.15 ]

[]

-268.308175

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[]

18.457

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pbe

true

8767f8801eadbb6570d0a2c0a1f83c08_1_Li4Mn3Ni3P6O24

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

28

A16B4C3D3E2

Li4Mn2Ni3O16Ti3

Li4 Mn2 Ni3 O16 Ti3

5

[ 1, 1, 1 ]

3

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mp-771397

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

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

2014-02-18 04:46:38

[ 0.14285714285714285, 0.07142857142857142, 0.10714285714285714, 0.5714285714285714, 0.10714285714285714 ]

[]

-187.075765

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[]

10.011

2.722828

pbe

true

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

56

A8B2C2DE

Li2MnO8P2Sn

Li8 Mn4 O32 P8 Sn4

5

[ 1, 1, 1 ]

3

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mp-860889

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

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "Sn", "Sn", "Sn", "Sn", "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" ]

2020-06-05 06:39:34

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-380.646099

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0.001

3.324844

pbe

true

ac27dc591c502c7586aa1b91cfd4aace_11_Li8Mn4Sn4P8O32

[ "Ni", "Ru", "Si" ]

4

A2BC

NiRu2Si

Si1 Ni1 Ru2

3

[ 1, 1, 1 ]

3

[ [ 2.81426737, 0, 0 ], [ 0, 2.81426737, 0 ], [ 0, 0, 6.35903838 ] ]

agm003921591

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

[ "Ni", "Ru", "Ru", "Si" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -3.0687468, 0, 0 ], [ 0, -3.0687468, 0 ], [ 0, 0, -3.3842318 ] ]

-30.645787

[ 0, 0, 0, 0 ]

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0.000001

2.349826

pbe

true

97a54a83383ad47cbde0c67537b4c88f_99_Si1Ni1Ru2

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

28

A16B4C3D3E2

Li4Mn3O16Sb2Ti3

Li4 Mn3 O16 Sb2 Ti3

5

[ 1, 1, 1 ]

3

[ [ 6.10948041, 0.05923149, -0.08553591 ], [ -3.00353626, 5.20082112, 0.00171877 ], [ -0.13084381, -0.07137003, 9.90720956 ] ]

mp-758701

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

2014-02-13 19:58:18

[ 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142, 0.10714285714285714 ]

[]

-200.958287

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[]

12.601

4.330773

pbe

true

f625acaa7647bcd20cdf44872b540e1b_1_Li4Ti3Mn3Sb2O16

[ "Ni", "Sb", "W" ]

4

A2BC

NiSbW2

Ni1 Sb1 W2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.176734, 3.176734 ], [ 3.176734, 0, 3.176734 ], [ 3.176734, 3.176734, 0 ] ]

oqmd-2340144

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

[ "Ni", "Sb", "W", "W" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ -107.33427, 0, 0 ], [ 0, -107.33427, 0 ], [ 0, 0, -107.33427 ] ]

-33.5507

[ 0.022, 0.001, 0.02, 0.002 ]

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

0.058244

null

pbe

true

48faaf073133122eeff6183da2620fa3_216_Ni1Sb1W2

[ "Li", "N", "O", "Sr", "Ti" ]

22

A11B6C2D2E

LiN2O11Sr2Ti6

Sr2 Li1 Ti6 N2 O11

5

[ 1, 1, 1 ]

3

[ [ 1.94076791, 7.54980238, -0.01783143 ], [ -1.94076791, 7.54980238, -0.01783143 ], [ 0, 1.22879294, 9.29825725 ] ]

agm005287606

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

[ "Sr", "Sr", "Li", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.045454545454545456, 0.09090909090909091, 0.5, 0.09090909090909091, 0.2727272727272727 ]

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-183.289797

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

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-0.00039

3.690834

pbe

true

f8d90078b9f7dbb43edc5353d1b6b6ec_8_Sr2Li1Ti6N2O11

[ "Al", "Mg", "Nb" ]

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A6BC

AlMg6Nb

Mg6 Nb1 Al1

3

[ 1, 1, 1 ]

3

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agm005239928

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[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Nb", "Al" ]

2023-11-16 06:57:59

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true

155a7002159072b73ca68f42f9f13454_38_Mg6Nb1Al1

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A2BC

NiSbY2

Y2 Ni1 Sb1

3

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agm002715985

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[ "Y", "Y", "Sb", "Ni" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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true

2228c8f8442fc477f4a2b896ec0b168a_139_Y2Ni1Sb1

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

35

A24B6C3DE

LiNbO24P6Ti3

Li1 Nb1 O24 P6 Ti3

5

[ 1, 1, 1 ]

3

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mp-757758

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[{"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": "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"]}]

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

2014-05-06 01:04:30

[ 0.02857142857142857, 0.02857142857142857, 0.6857142857142857, 0.17142857142857143, 0.08571428571428572 ]

[]

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[]

0

0.46069

pbe

true

0dbdb15e8d34c91d6df757cae3634d23_146_Li1Ti3Nb1P6O24

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

39

A24B7C4D3E

Li7NbO24Te4Zr3

Li7 Nb1 O24 Te4 Zr3

5

[ 1, 1, 1 ]

3

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mp-766103

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2014-02-15 22:04:05

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[]

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[]

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pbe

true

b3a76bc6c5ba62eb56bd9073e3f645c4_146_Li7Zr3Nb1Te4O24

[ "O", "Pb", "Zn" ]

4

A2BC

OPb2Zn

Zn1 Pb2 O1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.44824032, 3.44824032 ], [ 3.44824032, 0, 3.44824032 ], [ 3.44824032, 3.44824032, 0 ] ]

agm002719067

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[ "Pb", "Pb", "Zn", "O" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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0

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pbe

true

65db9a2bed8b5c28b4c4e174986bfae8_225_Zn1Pb2O1

[ "Al", "Mg", "Ni" ]

6

ABC

AlMgNi

Mg2 Al2 Ni2

3

[ 1, 1, 1 ]

3

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agm001041010

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[ "Ni", "Ni", "Al", "Al", "Mg", "Mg" ]

2023-11-16 06:57:59

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0

2.787253

pbe

true

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[ "Al", "Mg", "P" ]

4

A2BC

AlMgP2

Mg1 Al1 P2

3

[ 1, 1, 1 ]

3

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agm003962381

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[ "Al", "Mg", "P", "P" ]

2023-11-16 06:57:59

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pbe

true

d285ac214b67badd6e675b49ffa6ae0d_123_Mg1Al1P2

[ "Li", "O", "P", "Sc", "Ti" ]

79

A48B12C11D7E

Li11O48P12Sc7Ti

Li11 O48 P12 Sc7 Ti1

5

[ 1, 1, 1 ]

3

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mp-695286

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2013-11-30 08:07:36

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2.242956

pbe

true

6f23061d15b209d32d926d1da2a402a7_1_Li11Sc7Ti1P12O48

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20

A12B4C2DE

Li4O12SbTe2W

Li4 Sb1 Te2 W1 O12

5

[ 1, 1, 1 ]

3

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agm003225607

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[ "Li", "Li", "Li", "Li", "Sb", "Te", "Te", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.05, 0.1, 0.05 ]

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3.766798

pbe

true

df68573562cc0794f19cd39fcc83068e_1_Li4Sb1Te2W1O12

[ "Ge", "Ni", "Pr", "Si", "Sm" ]

11

A4B2C2D2E

Ge2Ni4PrSi2Sm2

Ge2 Ni4 Pr1 Si2 Sm2

5

[ 1, 1, 1 ]

3

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oqmd-10015632

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[ "Ge", "Ge", "Ni", "Ni", "Ni", "Ni", "Pr", "Si", "Si", "Sm", "Sm" ]

2024-11-01 00:00:00

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0.001866

null

pbe

true

31284fd765598ca83d15b60214812df4_71_Pr1Sm2Si2Ni4Ge2

[ "Ge", "O", "Ru", "Se", "Zn" ]

10

ABCDE

GeORuSeZn

Zn2 Ge2 Ru2 Se2 O2

5

[ 1, 1, 1 ]

3

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agm002119193

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

[ "Zn", "Zn", "Ge", "Ge", "Ru", "Ru", "Se", "Se", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.2, 0.2 ]

[ [ 0.3571523, 0, -0.07148348 ], [ 0, 0.5094588, 0 ], [ -0.0714816, 0, 0.4513832 ] ]

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1.252408

pbe

true

517dbe8bb19c3cb16daf9a05852a9bea_8_Zn2Ge2Ru2Se2O2

[ "H", "P", "Pd" ]

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A7B2C2

H2P2Pd7

P2 H2 Pd7

3

[ 1, 1, 1 ]

3

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[ "P", "P", "H", "H", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

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0

3.87403

pbe

true

2703b855755fb1f036d7cd656b0f204b_2_P2H2Pd7

[ "H", "Hg", "I", "O", "Rb" ]

32

A3B2CDE

H2HgI3ORb

H2 Hg1 I3 O1 Rb1

5

[ 1, 1, 1 ]

3

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oqmd-9720307

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2014-01-19 08:19:47

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2022-04-30 12:21:59

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2022-06-29 23:11:05

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2022-06-30 06:38:31

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2022-04-30 07:31:47

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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

[ "Mg", "Mg", "Mg", "Mg", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "S", "S", "S", "S", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "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" ]

2022-06-30 15:24:37

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0

0.303862

pbe

true

dcc097d659a99c56cd1f9a75983e8277_158_Mg4Ta8P12S6O72

[ "H", "K", "Na", "O", "Te" ]

30

A6B6CDE

H6KNaO6Te

K2 Na2 Te2 H12 O12

5

[ 1, 1, 1 ]

3

[ [ 6.75767308, 0, 0 ], [ -3.37883634, 5.85231668, 0 ], [ 0, 0, 8.87437613 ] ]

agm003238665

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

[ "K", "K", "Na", "Na", "Te", "Te", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.06666666666666667, 0.06666666666666667, 0.4, 0.06666666666666667 ]

[ [ 0.9721643, 3e-8, 0 ], [ 3e-8, 0.9721643, 0 ], [ 0, 0, 0.28474107 ] ]

-148.263812

[ 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 ]

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0.000002

0

pbe

true

6f234e3ce7bc1ffedb4075b8d66d35c9_159_K2Na2Te2H12O12

[ "Al", "Mg", "Pr" ]

8

A6BC

AlMgPr6

Pr6 Mg1 Al1

3

[ 1, 1, 1 ]

3

[ [ 9.25151259, 0.00563816, 0.21885739 ], [ 4.615049, 7.51929268, -0.14762205 ], [ 4.53038411, 2.45784691, 3.76280643 ] ]

agm003768936

[ [ 5.8076376560613, 5.263881346243512, 2.8068385279243007 ], [ 14.770642372456487, 9.075019274952655, 2.7616313431390376 ], [ 7.012082567006079, 2.270416938728681, 0.7599121867472554 ], [ 3.6263033275435133, 0.9077584750473463, 1.0724104268609624 ], [ 12.5893080439387, 4.718896403756489, 1.0272032420756991 ], [ 11.384863132993923, 7.71236081127132, 3.0741295832527444 ], [ 9.19847285, 4.991388875, 1.917020885 ], [ 0, 0, 0 ] ]

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Mg", "Al" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.75 ]

[ [ 0.21806414, -0.0445996, -0.02253884 ], [ -0.04459967, 0.24362548, 0.00326672 ], [ -0.02253887, 0.0032668, 0.36133537 ] ]

-34.194732

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

[ [ -0.00062541, -0.00091742, -0.00112546 ], [ 0.00056443, -0.00119038, -0.00439846 ], [ 0.00514874, -0.00115522, -0.00019471 ], [ -0.00056443, 0.00119038, 0.00439846 ], [ 0.00062541, 0.00091742, 0.00112546 ], [ -0.00514874, 0.00115522, 0.00019471 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000014

9.023879

pbe

true

1d87aeb8653fd377896a9b99bf29f3ee_2_Pr6Mg1Al1

[ "Mn", "Na", "O", "Tb", "W" ]

10

A6BCDE

MnNaO6TbW

Na1 Tb1 Mn1 W1 O6

5

[ 1, 1, 1 ]

3

[ [ 5.66268065, 0, 0 ], [ 2.83134033, 4.9040253, 0 ], [ 2.83134033, 1.6346751, 4.62355939 ] ]

agm005259793

[ [ 2.8313403275, 1.6346751, 1.1558898475 ], [ 8.4940209825, 4.9040253, 3.4676695424999995 ], [ 0, 0, 0 ], [ 5.662680655, 3.2693502, 2.311779695 ], [ 5.662680652591742, 1.694662706757696, 1.1983074909981135 ], [ 5.662680657408258, 4.844037693242304, 3.425251899001886 ], [ 7.026400026173544, 2.482006453378848, 3.425251899001886 ], [ 4.298961283826457, 4.056693946621152, 1.1983074909981135 ], [ 7.026400026173544, 4.056693946621152, 1.1983074909981135 ], [ 4.298961283826456, 2.482006453378848, 3.425251899001886 ] ]

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

[ "Na", "Tb", "Mn", "W", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.1, 0.1 ]

[ [ 1.099485, 0, 0 ], [ 0, 1.099485, 0 ], [ 0, 0, 1.099485 ] ]

-71.713831

[ 0, 0.001, 4.57, 0.134, 0.022, 0.022, 0.022, 0.022, 0.022, 0.022 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00152609, 0.00107911 ], [ 0, -0.00152609, -0.00107911 ], [ -0.00132164, 0.00076305, -0.00107911 ], [ 0.00132164, -0.00076305, 0.00107911 ], [ -0.00132164, -0.00076305, 0.00107911 ], [ 0.00132164, 0.00076305, -0.00107911 ] ]

5.000003

-0.035367

pbe

true

cdd8a86e844f863cfc420ad308319aad_216_Na1Tb1Mn1W1O6

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

4

A2BC

AlMg2Pt

Mg2 Al1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 4.3109423, 0, 0 ], [ 0, 3.10241389, 0.00881828 ], [ 0, 1.56946875, 5.32374695 ] ]

agm003993253

[ [ 2.15547115, 2.919166628328953, 3.9762611331183426 ], [ 0, 4.468890942804685, 5.139864790153375 ], [ 2.15547115, 1.3712827979946323, 1.5550741555297272 ], [ 0, 2.920366261895868, 2.6602129962867394 ] ]

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

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.779592, 0, 0 ], [ 0, 2.079593, 0.16634814 ], [ 0, 0.16634817, 1.7903743 ] ]

-15.039086

[ 0, 0, 0, 0 ]

[ [ 0, -0.0031751, -0.00262444 ], [ 0, 0.01155867, 0.00056174 ], [ 0, -0.01129308, -0.00838032 ], [ 0, 0.00290952, 0.01044302 ] ]

0

1.301194

pbe

true

4c533a9c0f583bccf1a579bbdfda5cf4_6_Mg2Al1Pt1

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

4

A2BC

AlMg2Rh

Mg2 Al1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.20689988, 3.20689988 ], [ 3.20689988, 0, 3.20689988 ], [ 3.20689988, 3.20689988, 0 ] ]

agm002696447

[ [ 1.60344994, 1.60344994, 1.60344994 ], [ 4.81034982, 4.81034982, 4.81034982 ], [ 3.20689988, 3.20689988, 3.20689988 ], [ 0, 0, 0 ] ]

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

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

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 4.106215, 0, 0 ], [ 0, 4.106215, 0 ], [ 0, 0, 4.106215 ] ]

-15.434703

[ 0, 0, 0, 0 ]

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

-0

1.695264

pbe

true

7d0be3c8c345eecfcf5f1ee31315741a_225_Mg2Al1Rh1

[ "Al", "Mg", "Sc" ]

4

A2BC

Al2MgSc

Mg1 Sc1 Al2

3

[ 1, 1, 1 ]

3

[ [ 4.75618666, 0, 0 ], [ 2.37809333, 4.11897847, 0 ], [ 2.37809333, 1.37299282, 3.88341015 ] ]

agm003867317

[ [ 0, 0, 0 ], [ 2.37809333, 1.3729928225, 0.9708525375 ], [ 4.75618666, 2.745985645, 1.941705075 ], [ 7.13427999, 4.1189784675, 2.9125576125 ] ]

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

[ "Al", "Al", "Mg", "Sc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.7219256, 0, 0 ], [ 0, 1.7219256, 0 ], [ 0, 0, 1.7219256 ] ]

-15.643007

[ 0, 0, 0, 0 ]

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

0.000014

3.424485

pbe

true

1e04c2d7bf5ad710c3be4a237ff7f1df_216_Mg1Sc1Al2

[ "Al", "Mg", "Ta" ]

4

A2BC

Al2MgTa

Mg1 Ta1 Al2

3

[ 1, 1, 1 ]

3

[ [ 2.85020742, 0, 0 ], [ 0, 2.85020742, 0 ], [ 0, 0, 8.84602277 ] ]

agm004190691

[ [ 0, 0, 8.811338930082472 ], [ 1.42510371, 1.42510371, 2.0699535822594695 ], [ 0, 0, 4.441059659876947 ], [ 1.42510371, 1.42510371, 6.792704752781109 ] ]

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

[ "Al", "Al", "Mg", "Ta" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.1584094, 0, 0 ], [ 0, 1.1584094, 0 ], [ 0, 0, 1.1395631 ] ]

-20.778628

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00001494 ], [ 0, 0, 0.0029544 ], [ 0, 0, -0.00289637 ], [ 0, 0, -0.00004309 ] ]

0.000002

2.492904

pbe

true

d956dbaf51866dd1a78f7f7d5ba96bc3_99_Mg1Ta1Al2

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

36

A24B6C3D2E

MnO24P6Sb2Ti3

Mn1 O24 P6 Sb2 Ti3

5

[ 1, 1, 1 ]

3

[ [ 8.89939193, 0.05527622, 0.03901532 ], [ 4.5295619, 7.66063414, 0.03901631 ], [ 4.5295619, 2.60256165, 7.20510248 ] ]

mp-775892

[ [ 2.6397956774820357, 1.5167544033004208, 1.0705776708474097 ], [ 6.290252442299776, 3.614207027882497, 2.5510322128957093 ], [ 11.663583657671301, 6.701576194681137, 4.730204058017907 ], [ 15.237715293955283, 8.755174487742952, 6.179704697447978 ], [ 17.862836529478862, 10.263497358009841, 7.244331100920083 ], [ 8.92148406280049, 5.12604075825079, 3.618136702748742 ], [ 5.873514394374493, 6.932883872065702, 3.304352184800244 ], [ 7.653897375953478, 2.3369292462644067, 5.425716661293871 ], [ 9.04650168065847, 6.63894581542799, 6.934573268266735 ], [ 10.291491513823043, 8.031912015234749, 1.891215832218839 ], [ 12.121906165157707, 3.405139977862956, 3.932874787343176 ], [ 8.94749108060973, 3.643651417464792, 0.3847006612297856 ], [ 4.682702110121248, 3.7199550657703213, 3.5746715782789225 ], [ 5.572036109163954, 4.09572597271229, 0.8494026435121449 ], [ 5.915888495619757, 7.678744681461475, 1.925077992272788 ], [ 6.3445522285840745, 1.7218172964201197, 2.3078216809820677 ], [ 6.590580670494177, 7.691101215462308, 4.384935689008514 ], [ 6.688898388080289, 5.5832656331899075, 3.10316783795479 ], [ 6.7682844088154726, 2.902223639557945, 6.590462532887697 ], [ 7.510236083924182, 3.364478989558875, 4.221433177219701 ], [ 7.991216330973672, 5.552797032637885, 7.202804771356007 ], [ 8.192146705458374, 3.917673186348194, 1.7562554521422866 ], [ 8.420299108556254, 8.063379062649878, 6.834390535291367 ], [ 8.821682426957034, 8.162500424224122, 1.4577391835323066 ], [ 9.114045863661909, 2.3157741584450866, 5.7782176162658025 ], [ 9.613203912616074, 2.2304946106761467, 0.527232725220467 ], [ 9.738578671932233, 6.29203464554822, 5.572458245848665 ], [ 9.963659943060527, 4.741420061075146, 0.2467032551524649 ], [ 10.340319342976837, 7.007244427600954, 3.075423416221846 ], [ 11.206744256190012, 7.516051551873615, 0.7390975215212717 ], [ 11.261253243501884, 4.707914751274962, 4.062217996187395 ], [ 11.494517674589831, 2.549369875663542, 2.81962029060442 ], [ 11.573766219355278, 8.628486262387348, 5.075791545586471 ], [ 12.1371664560558, 2.671415662721336, 5.3085899223055435 ], [ 12.457240014137952, 6.134969691084316, 6.430070700548536 ], [ 13.283070244839086, 6.676191927755064, 3.626982097370811 ] ]

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

[ "Ti", "Ti", "Ti", "Mn", "Sb", "Sb", "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 06:21:18

[ 0.027777777777777776, 0.6666666666666666, 0.16666666666666666, 0.05555555555555555, 0.08333333333333333 ]

[]

-271.059396

[ 0.642, 0.512, 0.619, 4.641, 0.009, 0.041, 0.011, 0.013, 0.013, 0.011, 0.013, 0.012, -0.007, -0.007, -0.002, -0.008, 0.016, 0, -0.002, 0, -0.01, 0, 0.01, -0.011, 0.017, -0.002, 0.001, 0.017, -0.005, 0.008, -0.002, -0.009, -0.003, 0.01, -0.002, -0.005 ]

[]

6.541

4.554481

pbe

true

0a53260291ddacf745e5bdee4cc01a67_146_Ti3Mn1Sb2P6O24

[ "Mn", "O", "P", "Te", "Ti" ]

36

A24B6C3D2E

Mn3O24P6Te2Ti

Mn3 O24 P6 Te2 Ti1

5

[ 1, 1, 1 ]

3

[ [ 8.88873658, -0.14328202, -0.09982694 ], [ 4.58999339, 7.61328586, -0.0998268 ], [ 4.58999347, 2.54380602, 7.17643007 ] ]

mp-758912

[ [ 15.416455277433968, 8.543904741032293, 5.952670681427226 ], [ 2.9358385275461574, 1.6270617507724494, 1.1335991065280306 ], [ 6.3047523743086265, 3.4941367994456467, 2.4344191927920575 ], [ 11.85362554177937, 6.569360183146294, 4.576974924608717 ], [ 0.3372765737225408, 0.1869209792659152, 0.1302307395442056 ], [ 9.236719677857765, 5.119053091455592, 3.566523524991386 ], [ 5.923577933717067, 6.852176394833876, 3.1958040524834956 ], [ 7.694810951271282, 2.1757131639112646, 5.320753828943121 ], [ 8.95021099857316, 3.479782540551937, 0.1977308723821427 ], [ 9.038585333973801, 6.577985902156673, 6.688153398062179 ], [ 10.368822330838869, 7.721281837970153, 1.6020739597822808 ], [ 12.043392520792509, 3.1309803927486297, 3.8536963135275246 ], [ 4.61327265318362, 3.6110152854987687, 3.7496234271083226 ], [ 5.507289160482546, 4.20955106549426, 0.5751825086781726 ], [ 5.957644688567413, 7.631358794391498, 1.7314172935558636 ], [ 6.488702048531747, 1.3844010493281504, 2.088437332743314 ], [ 6.928676411004354, 5.692125433471636, 3.0735567015864746 ], [ 15.291207230195017, 7.707008603604162, 4.179190001912882 ], [ 6.7769036035132135, 2.789659732533755, 6.558990610083886 ], [ 7.789548151858394, 3.3018003138937475, 4.274886692493291 ], [ 8.499282444842047, 3.873375109300636, 1.6164042815656567 ], [ 8.030442200914775, 5.482159305473971, 6.883710913893999 ], [ 8.3517045678791, 7.97981173592322, 6.451854348361285 ], [ 8.905231262934455, 7.8097998935062956, 1.2772707080146106 ], [ 13.693495429786587, 9.473199971760259, 5.781980196672818 ], [ 9.628987842287978, 1.9730058428896984, 0.3447007179222058 ], [ 14.64040857788841, 6.9971258394335925, 6.883552921377474 ], [ 9.699552943357514, 6.24931022852639, 5.23737151389485 ], [ 10.440464002652499, 6.614854883469268, 2.793862691335283 ], [ 11.193439498680522, 7.040428582540912, 0.44052159874954744 ], [ 11.342673562894895, 2.380093739415477, 2.7579802429321476 ], [ 11.143154632999721, 4.4731821029418155, 4.047963958631068 ], [ 11.52864369061348, 8.574528770632476, 4.779876075784979 ], [ 11.903142578927817, 2.408614793321699, 5.250577184905885 ], [ 12.431802430621259, 5.82470055772759, 6.38768666081258 ], [ 13.38168157895269, 6.29603272483543, 3.2511466711604147 ] ]

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

[ "Ti", "Mn", "Mn", "Mn", "Te", "Te", "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" ]

2014-02-15 15:16:10

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.05555555555555555, 0.027777777777777776 ]

[]

-258.805515

[ 0.017, 4.612, 4.671, 4.633, 0.023, 0.027, 0.01, 0.009, 0.01, 0.013, 0.013, 0.013, 0.015, 0.014, 0.008, 0.015, 0.01, 0.001, 0.008, 0.009, 0.008, 0.022, 0.003, 0.023, 0.001, 0.009, 0.001, 0.011, 0.01, 0.002, 0.022, 0.012, 0.018, 0.002, 0.016, 0.018 ]

[]

14.309

2.45536

pbe

true

cb70fbf2448a6950619746f20ee45c87_146_Ti1Mn3Te2P6O24

[ "Cr", "Cu", "Ir" ]

4

A2BC

CrCuIr2

Cr1 Cu1 Ir2

3

[ 1, 1, 1 ]

3

[ [ 4.34612961, 0, 0 ], [ 0, 2.69389465, -0.01599701 ], [ 0, 0.2683625, 4.75818123 ] ]

agm003793219

[ [ 2.173064805, 0.7405642874999999, 1.1855460549999999 ], [ 2.173064805, 2.2216928625, 3.556638165 ], [ 0, 2.942152963719192, 4.719258392194114 ], [ 0, 1.5012327612808074, 2.394017937805886 ] ]

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

[ "Cr", "Cu", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -1.3017467, 0, 0 ], [ 0, -0.761306, -0.00731674 ], [ 0, -0.00731699, -1.4460322 ] ]

-30.643844

[ 2.397, 0.036, -0.013, -0.013 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00173506, -0.00055264 ], [ 0, 0.00173506, 0.00055264 ] ]

2.580156

6.359112

pbe

true

cea24961ffd39ebd4b42f4b27046d5ee_10_Cr1Cu1Ir2

[ "Al", "Mg", "Y" ]

4

A2BC

AlMg2Y

Y1 Mg2 Al1

3

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[ "Al", "Mg", "Mg", "Y" ]

2023-11-16 06:57:59

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[ "Tl", "Au", "S" ]

2023-11-16 06:57:59

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2019-11-05 09:25:53

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16.57

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pbe

true

03f5ec9a15f8fa805a31af188d80b317_31_Mo6P2W18N6O80

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

5

A3BC

AlMn3Ni

Mn3 Al1 Ni1

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3

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agm002396114

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

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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6.601899

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c4b44bc446951ff6bb34e469869e5f7b_221_Mn3Al1Ni1

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Mo3O25P6RbSi2

Mo6 O50 P12 Rb2 Si4

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mp-705894

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2019-10-23 02:35:54

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pbe

true

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O4PmY2

O4 Pm1 Y2

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oqmd-1939083

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[ "O", "O", "O", "O", "O", "O", "O", "O", "Pm", "Pm", "Y", "Y", "Y", "Y" ]

2024-11-01 00:00:00

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0.437986

null

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true

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A5B4C2DE

N5NaORb4W2

Rb8 Na2 W4 N10 O2

5

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3

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agm005278629

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2023-11-16 06:57:59

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-146.455687

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0

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[ "Na", "Nb", "O", "P", "Rb" ]

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A24B6C3D2E

NaNb6O24P3Rb2

Na1 Nb6 O24 P3 Rb2

5

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3

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mp-677731

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2013-11-18 15:02:10

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2022-06-29 23:16:37

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0

0.354608

pbe

true

5ccfac39e998460c51f2474ae301eddd_1_Na3Nb12Si9P9O72

[ "Na", "Nb", "O", "P", "Sn" ]

105

A24B6C3DE

NaNbO24P6Sn3

Na3 Nb3 O72 P18 Sn9

5

[ 1, 1, 1 ]

3

[ [ 8.74522014, 0, 0 ], [ -4.37261007, 7.57358248, 0 ], [ 0, 0, 22.78363545 ] ]

mp-2713799

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

[ "Na", "Na", "Na", "Nb", "Nb", "Nb", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "P", "P", "P", "P", "P", "P", "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", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-06-30 02:08:48

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mp-695396

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2013-11-30 01:47:52

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mp-677709

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2013-11-18 11:13:48

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2019-11-04 23:04:40

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

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2022-06-30 08:29:33

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2022-06-30 06:25:52

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2022-06-30 10:27:46

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

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2022-06-30 13:55:58

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[ "Na", "O", "Si", "Ta", "Zr" ]

120

A12B3C3DE

Na3O12Si3TaZr

Na18 O72 Si18 Ta6 Zr6

5

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3

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

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2022-06-30 06:43:10

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0

1.320098

pbe

true

3d3e2dcb5ccf2770b1244c8935b63f56_9_Na18Zr6Ta6Si18O72

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

3

ABC

AuSbTe

Sb1 Te1 Au1

3

[ 1, 1, 1 ]

3

[ [ 5.0296462, 0, 0 ], [ 2.5148231, 4.35580138, 0 ], [ 2.5148231, 1.45193379, 4.10668892 ] ]

agm004187756

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

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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0.000001

0.621687

pbe

true

03e190abce8a7b8d156da5845b1e5f02_216_Sb1Te1Au1

[ "Os", "Ti" ]

12

A2B

Os2Ti

Ti4 Os8

2

[ 1, 1, 1 ]

3

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2017-12-03 04:38:37

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2019-01-12 19:20:09

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2023-11-16 06:57:59

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

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2019-01-12 04:16:43

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[ "Os", "Zr", "Zr" ]

2023-11-16 06:57:59

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2.351858

pbe

true

1ce9d93c0c76ef0d869e4a212b9fcb6e_164_Zr2Os1

[ "Cr", "Cu", "La" ]

4

A2BC

Cr2CuLa

La1 Cr2 Cu1

3

[ 1, 1, 1 ]

3

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agm003981179

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[ "Cr", "Cr", "Cu", "La" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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0.238416

4.144718

pbe

true

704edbb21697f1100c5c850281a13ed3_99_La1Cr2Cu1

[ "Al", "Mn", "Os" ]

4

A2BC

AlMnOs2

Mn1 Al1 Os2

3

[ 1, 1, 1 ]

3

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agm003990222

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[ "Mn", "Os", "Os", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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5.040071

pbe

true

948562898bd5585b677c852f7c7475bb_35_Mn1Al1Os2

[ "Os", "Zr" ]

6

A2B

OsZr2

Zr4 Os2

2

[ 1, 1, 1 ]

3

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agm005483867

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[ "Zr", "Zr", "Zr", "Zr", "Os", "Os" ]

2023-11-16 06:57:59

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6.477081

pbe

true

4284f0dcceecedfdf28d2a66102538a4_12_Zr4Os2

[ "O", "Pb" ]

10

A3B2

O3Pb2

Pb4 O6

2

[ 1, 1, 1 ]

3

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agm2000113147

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

2023-11-16 06:57:59

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0

pbe

true

5b16815d50f26c941c7097763bf5ea7c_51_Pb4O6

[ "Cl", "Li", "Se" ]

4

A2BC

ClLiSe2

Li1 Se2 Cl1

3

[ 1, 1, 1 ]

3

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[ "Cl", "Li", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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0.00006

2.63953

pbe

true

8482d42bee0450b28f18eaa21077a31a_166_Li1Se2Cl1

[ "Ag", "Br", "H", "N", "O", "S" ]

136

A36B12C9D8E2F

AgBr2H36N9O12S8

Ag2 Br4 H72 N18 O24 S16

6

[ 1, 1, 1 ]

3

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mp-849798

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

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2014-07-04 11:32:44

[ 0.014705882352941176, 0.029411764705882353, 0.5294117647058824, 0.1323529411764706, 0.17647058823529413, 0.11764705882352941 ]

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2019-01-12 08:46:39

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2019-01-12 21:45:45

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