LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Li", "O", "P", "Zn" ]

112

A4BCD

LiO4PZn

Li16 Zn16 P16 O64

4

[ 1, 1, 1 ]

3

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agm005286379

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

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2023-11-16 06:57:59

[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]

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-695.098179

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0

pbe

true

963f2eb28944bb17964205fba982067e_9_Li16Zn16P16O64

[ "Li", "O", "Pa", "Se" ]

20

A12B4C3D

Li3O12PaSe4

Li3 Pa1 Se4 O12

4

[ 1, 1, 1 ]

3

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agm004707419

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[ "Li", "Li", "Li", "Pa", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-113.905348

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0.453889

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pbe

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e21367218d3cf41a66278e939200678d_155_Li3Pa1Se4O12

[ "Li", "O", "Pa", "Sn" ]

20

A12B4C3D

Li4O12Pa3Sn

Li4 Pa3 Sn1 O12

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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0.61546

7.902356

pbe

true

61ac98d299b624d3a2b7a27dad628fd7_155_Li4Pa3Sn1O12

[ "Bi", "Cu", "Te" ]

8

A2BC

BiCu2Te

Cu4 Bi2 Te2

3

[ 1, 1, 1 ]

3

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[ "Te", "Te", "Bi", "Bi", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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0

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pbe

true

944bc56f5247886ca094ef4e633ee854_122_Cu4Bi2Te2

[ "Tc", "Tl", "Y" ]

3

ABC

TcTlY

Y1 Tl1 Tc1

3

[ 1, 1, 1 ]

3

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[ "Tc", "Tl", "Y" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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0.000005

2.179422

pbe

true

e2875bd1a0c8ad39bbb1c59eb17cca10_156_Y1Tl1Tc1

[ "Li", "O", "Pb", "Pu" ]

20

A12B4C3D

Li4O12PbPu3

Li4 Pu3 Pb1 O12

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

[ 0.2, 0.6, 0.05, 0.15 ]

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6

10.159574

pbe

true

c054ac5d8c8ef5528a5bdd8bd60b8c71_155_Li4Pu3Pb1O12

[ "Bi", "Dy", "In" ]

8

A2BC

Bi2DyIn

Dy2 In2 Bi4

3

[ 1, 1, 1 ]

3

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agm005803865

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[ "Dy", "Dy", "In", "In", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-31.854863

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0

5.555647

pbe

true

7b6a55725a05655c4bb6bc65c3efc9d8_63_Dy2In2Bi4

[ "Li", "O", "Pb", "V" ]

20

A12B4C3D

Li3O12PbV4

Li3 V4 Pb1 O12

4

[ 1, 1, 1 ]

3

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[ "Li", "Li", "Li", "V", "V", "V", "V", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.15, 0.6, 0.05, 0.2 ]

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true

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[ "Li", "O", "Pm", "V" ]

20

A12B4C3D

Li3O12PmV4

Li3 Pm1 V4 O12

4

[ 1, 1, 1 ]

3

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

[ "Li", "Li", "Li", "Pm", "V", "V", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.15, 0.6, 0.05, 0.2 ]

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-135.365591

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2.000768

1.452298

pbe

true

07834c82c7f484f3be4848abdcb2b9b3_155_Li3Pm1V4O12

[ "Li", "Os", "Zn" ]

4

A2BC

LiOs2Zn

Li1 Zn1 Os2

3

[ 1, 1, 1 ]

3

[ [ 3.07019566, 0, 0 ], [ 0, 3.07019566, 0 ], [ 0, 0, 5.617854 ] ]

agm004119570

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[ "Li", "Os", "Os", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.5699043, 0, 0 ], [ 0, 5.5699043, 0 ], [ 0, 0, 5.7723317 ] ]

-23.414509

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00149124 ], [ 0, 0, -0.00149124 ], [ 0, 0, 0 ] ]

-0.000039

3.842289

pbe

true

d9db75d370c8f9c48d39d8700528820c_123_Li1Zn1Os2

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

8

A2BC

BiDy2Sm

Sm2 Dy4 Bi2

3

[ 1, 1, 1 ]

3

[ [ 4.6584138, 0, -0.02082977 ], [ 0, 4.62227615, 0 ], [ -2.27934079, 0, 11.55930969 ] ]

agm003623601

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

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

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.137464, 0, -0.00215725 ], [ 0, 1.1137637, 0 ], [ -0.00215725, 0, 0.9573986 ] ]

-39.189772

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

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0.000918

10.487255

pbe

true

3dd1eaa24eb9147c4c781583bc696b9d_11_Sm2Dy4Bi2

[ "Li", "O", "Pt", "Sr" ]

20

A6B2CD

LiO6PtSr2

Sr4 Li2 Pt2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.65245309, -0.00001325, -0.02247159 ], [ -0.00001309, 5.61356591, 0.00000448 ], [ 0.01859516, 0.00000636, 7.97709378 ] ]

agm004934074

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

[ "Sr", "Sr", "Sr", "Sr", "Li", "Li", "Pt", "Pt", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

[ [ 0.9014175, -0.00000452, -0.02235817 ], [ -0.00000452, 1.0237633, 0.00000168 ], [ -0.02240541, 0.00000168, 1.0153716 ] ]

-114.195029

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-0.023105

15.504455

pbe

true

f57ed2efaf81bee5f9e8381978740ca2_14_Sr4Li2Pt2O12

[ "Li", "O", "Pu", "Rb" ]

20

A12B4C3D

Li4O12Pu3Rb

Rb1 Li4 Pu3 O12

4

[ 1, 1, 1 ]

3

[ [ 7.13649839, -0.16773501, -0.23302973 ], [ -1.88228513, 6.8858367, -0.23302973 ], [ -1.88228513, -2.40671291, 6.45575579 ] ]

agm004707912

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

[ "Rb", "Li", "Li", "Li", "Li", "Pu", "Pu", "Pu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.15, 0.05 ]

[ [ 0.74362856, 0.09128787, 0.12682378 ], [ 0.09128787, 0.7889543, 0.16215844 ], [ 0.12682378, 0.16215844, 0.8975149 ] ]

-156.507738

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5.000001

9.655328

pbe

true

4b33a57ef5b2d662aff21379476c5719_155_Rb1Li4Pu3O12

[ "Li", "Pb", "Sn" ]

12

A9B2C

Li2Pb9Sn

Li2 Sn1 Pb9

3

[ 1, 1, 1 ]

3

[ [ 4.82823791, 0, 0 ], [ 0, 4.82828521, 0.00000555 ], [ 0, 0.00001798, 15.03852744 ] ]

agm005855724

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

[ "Li", "Li", "Sn", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.75, 0.08333333333333333 ]

[ [ 4.7575083, 0, 0 ], [ 0, 4.7576017, 0.00001162 ], [ 0, 0.00001162, 5.148707 ] ]

-42.004467

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

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0

4.829657

pbe

true

93b985fefea670f3a55783eb7a46096e_123_Li2Sn1Pb9

[ "Bi", "Er", "Hf" ]

4

A2BC

Bi2ErHf

Er1 Hf1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 4.21817482, 0, 0 ], [ 2.10908741, 3.65304655, 0 ], [ 2.10908741, 1.21768218, 7.48981809 ] ]

agm005127179

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

[ "Er", "Hf", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.1444311, 0, 0 ], [ 0, 1.1444311, 0 ], [ 0, 0, 0.9996735 ] ]

-23.617612

[ 0.007, 0.043, 0.001, 0 ]

[ [ 0, 0, 0.00124838 ], [ 0, 0, -0.00276836 ], [ 0, 0, -0.00540505 ], [ 0, 0, 0.00692504 ] ]

0.087605

3.673155

pbe

true

f48570cf5e636757319461763706af91_160_Er1Hf1Bi2

[ "Li", "O", "Pu", "Tb" ]

20

A12B4C3D

Li4O12Pu3Tb

Li4 Tb1 Pu3 O12

4

[ 1, 1, 1 ]

3

[ [ 6.87563176, -0.16131233, -0.22410688 ], [ -1.8131976, 6.6342029, -0.22410688 ], [ -1.8131976, -2.31837674, 6.21996795 ] ]

agm004708073

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

[ "Li", "Li", "Li", "Li", "Tb", "Pu", "Pu", "Pu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.15, 0.05 ]

[ [ 0.8519368, 0.03531164, 0.0490575 ], [ 0.03531164, 0.8694696, 0.06272553 ], [ 0.0490575, 0.06272553, 0.91146255 ] ]

-163.755466

[ -0.002, -0.002, -0.002, -0.004, -0.015, 2.841, 2.841, 2.841, -0.133, -0.14, -0.14, -0.14, -0.104, -0.104, -0.104, -0.104, -0.104, -0.104, -0.133, -0.133 ]

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7

14.340826

pbe

true

6a4fa26facc2222abcefdbf2d105c8fe_155_Li4Tb1Pu3O12

[ "Li", "Sm", "Tm" ]

4

A2BC

LiSm2Tm

Li1 Sm2 Tm1

3

[ 1, 1, 1 ]

3

[ [ 3.73905102, 0, 0 ], [ 0, 5.66366393, 0 ], [ 0, 0, 5.66366393 ] ]

agm001212528

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2023-11-16 06:57:59

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A12B4C3D

Li4O12Pu3Tl

Li4 Pu3 Tl1 O12

4

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2023-11-16 06:57:59

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Li20 O80 Rb20 S20

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2019-01-12 04:02:12

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0.13942363, 0.05087212, -0.00392663 ], [ 0.11981787, -0.00014579, -0.0113136 ], [ 0.11981787, 0.00014579, -0.0113136 ], [ -0.06832469, -0.02115256, -0.04514499 ], [ -0.06832469, 0.02115256, -0.04514499 ], [ 0.07576681, -0.03639043, 0.08282243 ], [ 0.07576681, 0.03639043, 0.08282243 ], [ 0.08991808, 0.01844564, 0.03104972 ], [ 0.08991808, -0.01844564, 0.03104972 ], [ -0.03941971, 0.01360731, -0.06247914 ], [ -0.03941971, -0.01360731, -0.06247914 ], [ -0.05653367, -0.02229341, -0.04083301 ], [ -0.05653367, 0.02229341, -0.04083301 ], [ 0.12956212, -0.00841518, 0.0287978 ], [ 0.12956212, 0.00841518, 0.0287978 ], [ -0.06463277, -0.00923764, -0.0151498 ], [ -0.06463277, 0.00923764, -0.0151498 ], [ -0.06444244, 0.00952018, -0.01522035 ], [ -0.06444244, -0.00952018, -0.01522035 ] ]

0

-0.497396

pbe

true

058fd0664c78d7166eda8b5bb34e89d9_7_Rb20Li20S20O80

[ "Mg", "Sc", "Zr" ]

4

A2BC

Mg2ScZr

Mg2 Zr1 Sc1

3

[ 1, 1, 1 ]

3

[ [ 3.23138154, 0, 0 ], [ 0, 3.23138154, 0 ], [ 0, 0, 8.86830808 ] ]

agm003186616

[ [ 0, 0, 4.494464654076576 ], [ 0, 0, 0.0094849215408024 ], [ 1.61569077, 1.61569077, 2.173327084432017 ], [ 1.61569077, 1.61569077, 6.625185548633686 ] ]

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

[ "Sc", "Mg", "Mg", "Zr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.1606264, 0, 0 ], [ 0, 2.1606264, 0 ], [ 0, 0, 1.9186162 ] ]

-18.334331

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00041549 ], [ 0, 0, -0.01056969 ], [ 0, 0, 0.00799723 ], [ 0, 0, 0.00298795 ] ]

-0.000001

2.069398

pbe

true

714126c1f73d77e6320bf0b560b60ad3_99_Mg2Zr1Sc1

[ "Cd", "Tc", "Zr" ]

5

A3BC

Cd3TcZr

Zr1 Cd3 Tc1

3

[ 1, 1, 1 ]

3

[ [ 5.06613335, 0, 0 ], [ 0, 5.06613335, 0 ], [ 0, 0, 5.06613335 ] ]

agm002631188

[ [ 0, 0, 0 ], [ 2.533066675, 2.533066675, 2.533066675 ], [ 0, 2.533066675, 0 ], [ 0, 0, 2.533066675 ], [ 2.533066675, 0, 0 ] ]

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

[ "Tc", "Zr", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 4.6383796, 0, 0 ], [ 0, 4.6383796, 0 ], [ 0, 0, 4.6383796 ] ]

-16.495191

[ 0.866, -0.008, 0.01, 0.022, -0.01 ]

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

0.9098

4.162889

pbe

true

f2e722647083a4cefa61a07247374c39_221_Zr1Cd3Tc1

[ "Li", "Tm", "V" ]

4

A2BC

LiTm2V

Li1 Tm2 V1

3

[ 1, 1, 1 ]

3

[ [ 3.52601636, 0, 0 ], [ 0, 3.52601636, 0 ], [ 0, 0, 7.64656078 ] ]

agm001813713

[ [ 0, 0, 5.960537866337661 ], [ 0, 0, 1.6860229136623381 ], [ 1.76300818, 1.76300818, 3.82328039 ], [ 1.76300818, 1.76300818, 0 ] ]

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

[ "Tm", "Tm", "Li", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.103821, 0, 0 ], [ 0, 1.103821, 0 ], [ 0, 0, 1.0199444 ] ]

-19.191779

[ 0.14, 0.14, -0.012, 2.096 ]

[ [ 0, 0, 0.00229347 ], [ 0, 0, -0.00229347 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.595154

3.970794

pbe

true

9cc03b8ee1f4ae45aa4927f86d851af4_123_Li1Tm2V1

[ "Al", "As", "Bi", "Ca" ]

10

A2BCD

AlAsBiCa2

Ca4 Al2 Bi2 As2

4

[ 1, 1, 1 ]

3

[ [ 4.38191383, 0, 0 ], [ 0, 7.29560066, 0.22377843 ], [ 0, -2.91902329, 9.17751769 ] ]

agm005002701

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

[ "Ca", "Ca", "Ca", "Ca", "Al", "Al", "Bi", "Bi", "As", "As" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.3293816, 0, 0 ], [ 0, 0.5803011, -0.0161808 ], [ 0, -0.01618082, 0.47535658 ] ]

-39.295601

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

[ [ 0, -0.00097029, 0.00339875 ], [ 0, 0.00135504, -0.00081274 ], [ 0, 0.00097029, -0.00339875 ], [ 0, -0.00135504, 0.00081274 ], [ 0, 0.00268092, -0.00219709 ], [ 0, -0.00268092, 0.00219709 ], [ 0, -0.00073218, 0.00240305 ], [ 0, 0.00073218, -0.00240305 ], [ 0, -0.00359803, -0.00444495 ], [ 0, 0.00359803, 0.00444495 ] ]

-0.000002

4.17412

pbe

true

9b538f90fe840191c352c05bee1f9e69_11_Ca4Al2Bi2As2

[ "Lu", "Nd", "Sb" ]

4

A2BC

Lu2NdSb

Nd1 Lu2 Sb1

3

[ 1, 1, 1 ]

3

[ [ 3.90945366, 0, 0 ], [ 0, 3.90945366, 0 ], [ 0, 0, 7.48310128 ] ]

agm001815222

[ [ 1.95472683, 1.95472683, 3.74155064 ], [ 0, 0, 5.3633509081283 ], [ 0, 0, 2.119750371871699 ], [ 1.95472683, 1.95472683, 0 ] ]

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

[ "Sb", "Lu", "Lu", "Nd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.87403226, 0, 0 ], [ 0, 0.87403226, 0 ], [ 0, 0, 1.0844939 ] ]

-19.654773

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00104738 ], [ 0, 0, -0.00104738 ], [ 0, 0, 0 ] ]

0.000452

4.327626

pbe

true

41e149ae8bd2da97f95347f17244f9f8_123_Nd1Lu2Sb1

[ "Lu", "Nd", "Y" ]

3

ABC

LuNdY

Lu1 Nd1 Y1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.859858, 3.859858 ], [ 3.859858, 0, 3.859858 ], [ 3.859858, 3.859858, 0 ] ]

oqmd-3293356

[ [ 1.929929999999999, 1.929929999999999, 1.929929999999999 ], [ 5.78978, 5.78978, 5.78978 ], [ 0, 0, 0 ] ]

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

[ "Lu", "Nd", "Y" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.15144, 0, 0 ], [ 0, 3.15144, 0 ], [ 0, 0, 3.15144 ] ]

-13.4861

[ 0, 0, 0 ]

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

-0.022195

null

pbe

true

6a4b08fd853a9097051bb1327aee9ab0_216_Nd1Y1Lu1

[ "Cd", "Te", "Tl" ]

4

A2BC

Cd2TeTl

Tl1 Cd2 Te1

3

[ 1, 1, 1 ]

3

[ [ 3.8883704, 0, 0 ], [ 0, 3.8883704, 0 ], [ 0, 0, 7.5783619 ] ]

agm004286149

[ [ 1.9441852, 1.9441852, 5.724876156811124 ], [ 0, 0, 3.454506620093723 ], [ 0, 0, 0.25830611606931103 ], [ 1.9441852, 1.9441852, 1.9298538812422228 ] ]

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

[ "Tl", "Te", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.5230665, 0, 0 ], [ 0, 4.5230665, 0 ], [ 0, 0, 4.5556693 ] ]

-7.407585

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.00042088 ], [ 0, 0, -0.00041822 ], [ 0, 0, -0.00506721 ], [ 0, 0, 0.00506455 ] ]

0.000002

2.707431

pbe

true

3431fcbfe9946deaf5673db076316176_99_Tl1Cd2Te1

[ "Li", "O", "Rh", "Sr" ]

20

A6B2CD

LiO6RhSr2

Sr4 Li2 Rh2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.62248206, 0.00001642, -0.02396871 ], [ 0.00001561, 5.60707111, 0.00006228 ], [ 0.0156225, 0.00009027, 7.93467247 ] ]

agm004935069

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

[ "Sr", "Sr", "Sr", "Sr", "Li", "Li", "Rh", "Rh", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

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-117.701676

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3.213728

14.131584

pbe

true

5568359f64d79f0891fe7ffa7da225f1_14_Sr4Li2Rh2O12

[ "As", "Nb", "Te", "Tl" ]

29

A15B12CD

AsNb12Te15Tl

As1 Nb12 Te15 Tl1

4

[ 1, 1, 1 ]

3

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mp-1220809

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

[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Tl", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "As" ]

2019-01-12 21:35:53

[ 0.034482758620689655, 0.41379310344827586, 0.5172413793103449, 0.034482758620689655 ]

[ [ 6.20025501, -0.53949683, 0 ], [ -0.53949692, 5.10785029, 0 ], [ 0, 0, 5.22540174 ] ]

-188.593642

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0.002

6.713804

pbe

true

6371b79c26542dd8f4d9dc6ec498749b_6_Nb12Tl1Te15As1

[ "Li", "O", "Ru", "Sr" ]

22

A6B3CD

LiO6RuSr3

Sr6 Li2 Ru2 O12

4

[ 1, 1, 1 ]

3

[ [ 6.75195877, 0.00022309, 0.00023253 ], [ -0.26829194, 6.74662632, 0.00023253 ], [ -0.26829101, -0.27918138, 6.74084745 ] ]

agm003229146

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

[ "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Li", "Li", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-140.391362

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6.00118

-0.389959

pbe

true

447ddd6d60a153d73dd8f4eaa4e940ec_167_Sr6Li2Ru2O12

[ "Cd", "Ti", "Zn" ]

4

A2BC

CdTiZn2

Ti1 Zn2 Cd1

3

[ 1, 1, 1 ]

3

[ [ 2.97652989, 0, 0 ], [ 0, 2.97652989, 0 ], [ 0, 0, 7.61990589 ] ]

agm001115264

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

[ "Zn", "Zn", "Ti", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.5121646, 0, 0 ], [ 0, 5.5121646, 0 ], [ 0, 0, 6.0655704 ] ]

-11.655698

[ 0, 0, 0, 0 ]

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-0.000239

2.624995

pbe

true

03d9df4bb90b8501acc863e371243983_123_Ti1Zn2Cd1

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

7

A4B2C

BiEr2Se4

Er2 Bi1 Se4

3

[ 1, 1, 1 ]

3

[ [ 3.993017, 0, 0 ], [ 0, 7.15401837, 0.14456385 ], [ -1.9965085, -3.3408642, 7.30417229 ] ]

agm003463211

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

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

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ 0.42171788, 0, 0 ], [ 0, 0.30039427, 0.07173719 ], [ 0, 0.07173718, 0.4230043 ] ]

-36.127872

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

[ [ 0, -0.0034533, 0.00422744 ], [ 0, 0.0034533, -0.00422744 ], [ 0, 0, 0 ], [ 0, 0.0002584, -0.00502455 ], [ 0, -0.0002584, 0.00502455 ], [ 0, 0.00084403, 0.00388562 ], [ 0, -0.00084403, -0.00388562 ] ]

-0.000033

1.591356

pbe

true

22e4cadab29da7f7e6620d74c32c16d7_12_Er2Bi1Se4

[ "Au", "Mg", "Sr", "Zn" ]

5

A2BCD

AuMgSrZn2

Sr1 Mg1 Zn2 Au1

4

[ 1, 1, 1 ]

3

[ [ 4.30413638, 0, 0 ], [ 0, 4.37745216, 0 ], [ -2.15206819, -2.18872608, 6.01591479 ] ]

agm005004563

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

[ "Sr", "Mg", "Zn", "Zn", "Au" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 2.606981, 0, 0 ], [ 0, 2.256774, 0 ], [ 0, 0, 2.2770627 ] ]

-11.125639

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00237996 ], [ 0, 0, -0.00589115 ], [ 0, 0, 0.00099259 ], [ 0, 0, 0.00426537 ], [ 0, 0, -0.00174676 ] ]

0.000005

2.61109

pbe

true

e1789f93bd750992a6fa72c852767733_44_Sr1Mg1Zn2Au1

[ "Li", "O", "Sb", "Zn" ]

12

A6B3C2D

Li3O6SbZn2

Li3 O6 Sb1 Zn2

4

[ 1, 1, 1 ]

3

[ [ 5.18969645, 0.00413534, -0.92136457 ], [ -1.40661662, 4.38504742, -2.62550633 ], [ 0.00412996, -0.00612617, 5.30098506 ] ]

mp-557328

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

[ "Li", "Li", "Li", "Zn", "Zn", "Sb", "O", "O", "O", "O", "O", "O" ]

2014-03-21 22:07:21

[ 0.25, 0.5, 0.08333333333333333, 0.16666666666666666 ]

[]

-62.537194

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

[]

0

2.735674

pbe

true

12350b2a5bdfea506d6d4fea4cce15bc_12_Li3Zn2Sb1O6

[ "Bi", "F", "Hg" ]

8

A2BC

BiFHg2

Hg4 Bi2 F2

3

[ 1, 1, 1 ]

3

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agm002824430

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2023-11-16 06:57:59

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AuSbSn2Tl

Tl1 Sn2 Sb1 Au1

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[ "Tl", "Sn", "Sn", "Sb", "Au" ]

2023-11-16 06:57:59

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Cd2TlZn

Tl1 Zn1 Cd2

3

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[ "Cd", "Cd", "Tl", "Zn" ]

2023-11-16 06:57:59

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A12B3C3D2

Li3O12Se2Ta3

Li3 O12 Se2 Ta3

4

[ 1, 1, 1 ]

3

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oqmd-1923859

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2024-11-01 00:00:00

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[ "Li", "O", "Se", "Tl" ]

20

A12B4C3D

Li3O12Se4Tl

Li3 Tl1 Se4 O12

4

[ 1, 1, 1 ]

3

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[ "Li", "Li", "Li", "Tl", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.15, 0.6, 0.2, 0.05 ]

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Li2O6SeTl

Li4 Tl2 Se2 O12

4

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3

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

[ "Li", "Li", "Li", "Li", "Tl", "Tl", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

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-97.41321

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2.001292

7.806508

pbe

true

f5af4b5f049fb60eab0cce4d7c147d05_15_Li4Tl2Se2O12

[ "Cd", "Tl", "Zn" ]

4

A2BC

CdTl2Zn

Tl2 Zn1 Cd1

3

[ 1, 1, 1 ]

3

[ [ 6.0432058, 0.04784399, 0 ], [ 2.67171919, 5.42075106, 0 ], [ -4.3574627, -2.73429766, 3.17155492 ] ]

agm003956290

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

[ "Cd", "Tl", "Tl", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.6225014, -0.05716343, -3.7e-7 ], [ -0.05716343, 5.677729, -2.3e-7 ], [ -3.7e-7, -2.3e-7, 5.713598 ] ]

-6.360015

[ 0, 0, 0, 0 ]

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-0.000005

1.596097

pbe

true

ca123cd3deb6f91169d3b9b77a52df4a_119_Tl2Zn1Cd1

[ "Li", "O", "Se", "Zn" ]

20

A6B2CD

LiO6SeZn2

Li2 Zn4 Se2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.57716154, 0.28140104, 0.29203076 ], [ 2.11544348, 7.32694894, -0.99405696 ], [ 2.11544348, -1.26492022, 7.28507425 ] ]

agm004975468

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

[ "Li", "Li", "Zn", "Zn", "Zn", "Zn", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

[ [ 1.0991129, 0.24738245, 0.25672713 ], [ 0.24738245, 1.0697721, -0.28196013 ], [ 0.25672713, -0.28196013, 1.0488582 ] ]

-95.252387

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2.000851

0.041271

pbe

true

ce8db06bdb8b24eb09fc896ee64a0ca3_15_Li2Zn4Se2O12

[ "Bi", "F", "Mo" ]

5

A3BC

Bi3FMo

Bi3 Mo1 F1

3

[ 1, 1, 1 ]

3

[ [ 5.07374809, 0, 0 ], [ 0, 5.07374809, 0 ], [ 0, 0, 5.07374809 ] ]

agm002468486

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

[ "Mo", "Bi", "Bi", "Bi", "F" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.5313184, 0, 0 ], [ 0, 0.5313184, 0 ], [ 0, 0, 0.5313184 ] ]

-20.339961

[ 3.78, -0.257, -0.209, -0.189, -0.035 ]

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

3.492503

2.986919

pbe

true

78a3616fd439bcdf223d5363b0a69f70_221_Bi3Mo1F1

[ "Ge", "Ni", "Sr" ]

6

ABC

GeNiSr

Sr2 Ni2 Ge2

3

[ 1, 1, 1 ]

3

[ [ 4.41488491, -0.00177242, -0.00179685 ], [ 0.00001887, 4.41492098, -0.00212913 ], [ -2.21067121, -2.21010109, 6.86871135 ] ]

agm002227112

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

[ "Sr", "Sr", "Ge", "Ge", "Ni", "Ni" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ -1.062469, 0.1640265, 0.09001874 ], [ 0.16402654, -2.331575, 0.03573889 ], [ 0.09001959, 0.03573812, -2.2861087 ] ]

-26.850907

[ 0, 0, 0.001, -0.001, 0.005, -0.005 ]

[ [ -0.00241282, 0.00472247, 0.00093239 ], [ 0.00184377, -0.00169188, -0.00170915 ], [ -0.00209263, -0.00363747, -0.02403884 ], [ 0.00061157, -0.00089703, -0.02953438 ], [ -0.00438721, -0.00113261, 0.03684079 ], [ 0.00643733, 0.00263652, 0.01750919 ] ]

0.000044

3.278167

pbe

true

416a9d4f76e983e64b1f8bac06b80a85_109_Sr2Ni2Ge2

[ "Li", "O", "Si", "Ti" ]

20

A6B2CD

LiO6Si2Ti

Li2 O12 Si4 Ti2

4

[ 1, 1, 1 ]

3

[ [ 5.14126118, 0.01702478, 1.35598503 ], [ 1.5121624, 6.38538773, 0.80147329 ], [ 0.00103499, 0.12783556, 6.60952646 ] ]

mp-11206

[ [ 4.265879832904171, 1.8338475766335964, 6.054902625284424 ], [ 2.3885787370958282, 4.696400493366403, 2.712082154715577 ], [ 1.4194243354362517, 0.6831490699341891, 6.43704952512305 ], [ 5.235034234563749, 5.8470990000658105, 2.329935254876949 ], [ 1.4478903426857839, 1.3561094421026034, 3.040488824184645 ], [ 2.3550983859842414, 4.0026758109833205, 6.12791560232693 ], [ 5.206568227314216, 5.1741386278973955, 5.726495955815355 ], [ 4.299360184015759, 2.5275722590166785, 2.6390691776730697 ], [ 3.9263806169563376, 4.142124963989197, 5.648677760028357 ], [ 5.260314648930458, 2.237647052129136, 3.943867355485759 ], [ 1.0626739202085216, 0.8103482572080603, 4.508046809890293 ], [ 2.2369363451597706, 2.46393431231628, 6.595125505765587 ], [ 2.7280779530436625, 2.3881231060108026, 3.1183070199716427 ], [ 1.3941439210695423, 4.292601017870863, 4.8231174245142405 ], [ 4.624309845619144, 1.3909156143399697, 1.488854897454305 ], [ 4.88398476456578, 6.3205936606395, 6.867615695977875 ], [ 2.0301487243808567, 5.13933245566003, 7.278129882545694 ], [ 1.7704738054342197, 0.20965440936050006, 1.8993690840221245 ], [ 4.417527366101409, 4.0663137747085, 2.171860630219443 ], [ 5.591784649791479, 5.719899812791939, 4.258937970109708 ] ]

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

[ "Li", "Li", "Ti", "Ti", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-10-23 04:32:53

[ 0.1, 0.6, 0.2, 0.1 ]

[ [ 1.14023526, 0.01916752, 0.02266839 ], [ 0.01916762, 1.05870441, -0.074499 ], [ 0.0226685, -0.07449903, 1.05811414 ] ]

-155.141006

[ 0, 0, 0.866, 0.866, 0.006, 0.004, 0.006, 0.004, 0, 0, -0.001, 0.002, 0, 0, 0, -0.001, 0, -0.001, 0.002, -0.001 ]

[ [ -0.0079411, -0.03288394, 0.03052179 ], [ 0.0079411, 0.03288394, -0.03052179 ], [ -0.00077679, -0.00321667, 0.00298561 ], [ 0.00077679, 0.00321667, -0.00298561 ], [ 0.00091266, -0.00600608, -0.00657352 ], [ -0.00083325, 0.0063349, 0.00626832 ], [ -0.00091266, 0.00600608, 0.00657352 ], [ 0.00083325, -0.0063349, -0.00626832 ], [ 0.01099061, -0.00015674, -0.00269372 ], [ -0.00973334, 0.00536308, -0.00213862 ], [ -0.01434122, -0.00725304, 0.02211869 ], [ 0.00648046, -0.0252982, 0.0080943 ], [ -0.01099061, 0.00015674, 0.00269372 ], [ 0.00973334, -0.00536308, 0.00213862 ], [ -0.00192079, 0.00407444, -0.02990316 ], [ 0.00981163, 0.0286014, -0.00042548 ], [ 0.00192079, -0.00407444, 0.02990316 ], [ -0.00981163, -0.0286014, 0.00042548 ], [ -0.00648046, 0.0252982, -0.0080943 ], [ 0.01434122, 0.00725304, -0.02211869 ] ]

1.752

6.067434

pbe

true

f92428a72529f101285d4abb473c3f62_15_Li2Ti2Si4O12

[ "Li", "O", "Si", "Ti" ]

80

A6B2CD

LiO6Si2Ti

Li8 O48 Si16 Ti8

4

[ 1, 1, 1 ]

3

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mp-757419

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2019-10-23 12:26:57

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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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32

0

pbe

true

afc4067ef1ee164a5a7f4ad2f786608e_9_Li16V16Si16O64

[ "Li", "O", "Sm", "W" ]

24

A8B2CD

LiO8SmW2

Li2 O16 Sm2 W4

4

[ 1, 1, 1 ]

3

[ [ -4.71584944, 0, 2.09202854 ], [ 0, -5.89886547, 0 ], [ 4.96405344, 0, 9.0221837 ] ]

mp-1211000

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

[ "Li", "Li", "Sm", "Sm", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 13:26:42

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[ [ -3.85963147, 0, -1.75903551 ], [ 0, 2.20131671, 0 ], [ -1.75903548, 0, 4.15116359 ] ]

-178.877395

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0

1.055223

pbe

true

6eabbda4c57ca78eb0e92f9ff12cabd4_13_Li2Sm2W4O16

[ "Mg", "Na", "Tb" ]

4

A2BC

MgNaTb2

Na1 Tb2 Mg1

3

[ 1, 1, 1 ]

3

[ [ 3.77494301, 0, 0 ], [ 0, 3.77494301, 0 ], [ 0, 0, 8.54605138 ] ]

agm001814123

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

[ "Na", "Mg", "Tb", "Tb" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.32947853, 0, 0 ], [ 0, 0.32947853, 0 ], [ 0, 0, 0.13351849 ] ]

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[ 0, 0, 0, 0 ]

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0.000428

3.971014

pbe

true

059f3e47459594f35c87fe3d507b5c09_123_Na1Tb2Mg1

[ "Ge", "Pd", "Ti" ]

5

A2B2C

GePd2Ti2

Ti2 Ge1 Pd2

3

[ 1, 1, 1 ]

3

[ [ 3.7040412, 0, 0 ], [ 0, 3.7040412, 0 ], [ 1.8520206, 1.8520206, 6.37536683 ] ]

agm002948526

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

[ "Ge", "Pd", "Pd", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ 7.450549, 0, 0 ], [ 0, 7.450549, 0 ], [ 0, 0, 3.2585523 ] ]

-31.56544

[ -0.026, 0.019, 0.019, 0.707, 0.707 ]

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1.670713

4.066147

pbe

true

b0c53efb069384d1192fc57ba21be6d7_139_Ti2Ge1Pd2

[ "Ce", "Co", "Pm" ]

12

ABC

CeCoPm

Ce4 Pm4 Co4

3

[ 1, 1, 1 ]

3

[ [ 6.82994844, 0, 0 ], [ 0, 6.22025413, 0.36938267 ], [ 0, -0.60128774, 6.78973575 ] ]

agm001063168

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

[ "Ce", "Ce", "Ce", "Ce", "Pm", "Pm", "Pm", "Pm", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.1468441, 0, 0 ], [ 0, 3.0305676, -0.02547112 ], [ 0, -0.02547088, 3.172509 ] ]

-73.006419

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0.000789

18.521315

pbe

true

be82023827a1b073bdbe6cabbb92d498_14_Ce4Pm4Co4

[ "Li", "O", "Tc", "U" ]

20

A6B2CD

Li2O6TcU

Li4 U2 Tc2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.33398142, 1.6e-7, 0.0146347 ], [ 1.7e-7, 5.57982341, -0.00000143 ], [ -0.02248769, -0.000002, 7.79472782 ] ]

agm004972618

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

[ "Li", "Li", "Li", "Li", "U", "U", "Tc", "Tc", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 0.81054413, 0.00010147, 0.02113282 ], [ 0.00010154, 1.0133616, 0.00169199 ], [ 0.02113287, 0.00169207, 0.9010034 ] ]

-155.739093

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6.103792

1.76785

pbe

true

0bb697872bd7a9a0528016a0f90520ef_14_Li4U2Tc2O12

[ "Ce", "Cu", "Tc" ]

4

A2BC

Ce2CuTc

Ce2 Cu1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 3.39059661, 0, 0 ], [ 0, 3.39059661, 0 ], [ 0, 0, 7.38285668 ] ]

agm001130488

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

[ "Cu", "Tc", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -0.75447536, 0, 0 ], [ 0, -0.75447536, 0 ], [ 0, 0, 0.04770198 ] ]

-26.556211

[ 0, 0.001, -0.004, -0.004 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00192279 ], [ 0, 0, -0.00192279 ] ]

-0.008425

7.668181

pbe

true

832cc708c014dc6712029b87719172f6_123_Ce2Cu1Tc1

[ "Li", "O", "Te", "Zn" ]

20

A6B2CD

LiO6Te2Zn

Li2 Zn2 Te4 O12

4

[ 1, 1, 1 ]

3

[ [ 5.31179318, -0.20802477, -0.21588275 ], [ 1.44105591, 7.02092196, -0.67662817 ], [ 1.44105591, -0.93636776, 6.99102183 ] ]

agm004975771

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

[ "Li", "Li", "Zn", "Zn", "Te", "Te", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.2, 0.1 ]

[ [ 0.57180756, 0.1731731, 0.17971459 ], [ 0.17317311, 1.017586, 0.08904196 ], [ 0.1797146, 0.08904196, 1.0241905 ] ]

-100.453728

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0.000088

10.44351

pbe

true

3535881d84e50e7a7e2728c8658ab950_15_Li2Zn2Te4O12

[ "Ba", "Bi", "Cl", "O" ]

10

A2BCD

BaBiClO2

Ba2 Bi2 Cl2 O4

4

[ 1, 1, 1 ]

3

[ [ 4.421107, 0, 0 ], [ 0, 7.36973822, 0.0174486 ], [ 0, -2.23497148, 7.84657901 ] ]

agm002169341

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

[ "Cl", "Cl", "Bi", "Bi", "O", "O", "O", "O", "Ba", "Ba" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.7754762, 0, 0 ], [ 0, 0.51773727, 0.20679367 ], [ 0, 0.20679411, 1.0174817 ] ]

-54.965041

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

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0

pbe

true

112ea1c408acd3a10e62a61946c5439b_11_Ba2Bi2Cl2O4

[ "Li", "O", "Ti", "V" ]

20

A12B5C2D

Li2O12TiV5

Li2 Ti1 V5 O12

4

[ 1, 1, 1 ]

3

[ [ 6.88474877, -0.00699018, 0.00185905 ], [ -1.92246408, 6.61084168, -0.00185905 ], [ -1.81401671, 1.36305368, 5.22797039 ] ]

agm003225585

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

[ "Li", "Li", "Ti", "V", "V", "V", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.05, 0.25 ]

[ [ 1.1195533, -0.1369167, 0.00556684 ], [ -0.1369167, 1.0402056, -0.0041868 ], [ 0.00559337, -0.00420674, 1.1453722 ] ]

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2014-02-19 06:21:52

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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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[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "U", "U", "U", "U", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2015-01-06 23:26:39

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[]

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[]

0

1.590789

pbe

true

b1965acc8e2e923fb183aa2c20e247b6_1_Li8U4W8O40

[ "Li", "O", "U", "W" ]

63

A40B11C8D4

Li11O40U4W8

Li11 O40 U4 W8

4

[ 1, 1, 1 ]

3

[ [ 7.81317313, 0, 0.00131491 ], [ 0, 12.97289049, 0 ], [ 0.00070747, 0, 7.68763889 ] ]

mp-772943

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

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "U", "U", "U", "U", "W", "W", "W", "W", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-19 18:57:29

[ 0.1746031746031746, 0.6349206349206349, 0.06349206349206349, 0.12698412698412698 ]

[]

-469.486721

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[]

1.911

3.725651

pbe

true

45f5f56b405917a298decd8744ae7078_3_Li11U4W8O40

[ "Ce", "Cs", "I", "Li" ]

10

A6B2CD

CeCs2I6Li

Cs2 Li1 Ce1 I6

4

[ 1, 1, 1 ]

3

[ [ 8.67136077, 0, 0 ], [ 4.33568039, 7.50961871, 0 ], [ 4.33568039, 2.50320624, 7.08013642 ] ]

agm003206910

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

[ "Cs", "Cs", "Li", "Ce", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.6, 0.1 ]

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-32.987157

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1.000014

8.542274

pbe

true

5e8b3d5ba9d41d89eb4bec3d2eca347a_225_Cs2Li1Ce1I6

[ "Ce", "Ho", "O", "S" ]

5

A2BCD

CeHoO2S

Ce1 Ho1 S1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.81814189, 0, 0 ], [ 0, 3.81814189, 0 ], [ -1.90907094, -1.90907094, 6.03594733 ] ]

agm005010163

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

[ "Ce", "Ho", "S", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.5200116, 0, 0 ], [ 0, 0.5200116, 0 ], [ 0, 0, 0.55930287 ] ]

-39.468261

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1.001614

5.587291

pbe

true

5e7d1f00117c20642dedb2be51fe4101_107_Ce1Ho1S1O2

[ "Cl", "Eu", "O", "P" ]

10

A2BCD

ClEuO2P

Eu2 P2 Cl2 O4

4

[ 1, 1, 1 ]

3

[ [ 4.24186106, 0, 0 ], [ 0, 7.10187504, 0.14051406 ], [ 0, -1.77236553, 6.62194146 ] ]

agm002302700

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

[ "Eu", "Eu", "P", "P", "O", "O", "O", "O", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.60541344, 0, 0 ], [ 0, 0.37901232, 0.1458758 ], [ 0, 0.1458756, 0.24605684 ] ]

-75.542834

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14.002629

0.745206

pbe

true

33b88615d8411cc7eecc0c021309228b_11_Eu2P2Cl2O4

[ "Mn", "Ni", "Tc" ]

3

ABC

MnNiTc

Mn1 Tc1 Ni1

3

[ 1, 1, 1 ]

3

[ [ 4.49574807, 0.02171529, -0.02972644 ], [ 2.20511539, 3.91786773, 0.02972637 ], [ -2.93131188, -2.68267909, 2.10327107 ] ]

agm003841153

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

[ "Mn", "Ni", "Tc" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-25.153005

[ 1.844, 0.088, -0.374 ]

[ [ 0.00198411, 0.0011665, 0 ], [ -0.00393814, -0.00231532, 0 ], [ 0.00195403, 0.00114882, 0 ] ]

1.585001

3.795422

pbe

true

6bae2b0e9c413ff6ce7da460badb1c3b_44_Mn1Tc1Ni1

[ "Li", "P", "Pm", "Pt" ]

5

A2BCD

LiPPmPt2

Li1 Pm1 P1 Pt2

4

[ 1, 1, 1 ]

3

[ [ 4.11709339, 0, 0 ], [ 0, 3.87168798, 0 ], [ -2.0585467, -1.93584399, 5.6001091 ] ]

agm005003210

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

[ "Li", "Pm", "P", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 3.2639246, 0, 0 ], [ 0, 3.2381558, 0 ], [ 0, 0, 3.3749628 ] ]

-29.057315

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00833168 ], [ 0, 0, 0.00348219 ], [ 0, 0, 0.00378439 ], [ 0, 0, 0.00010396 ], [ 0, 0, 0.00096113 ] ]

0.000002

2.086025

pbe

true

ae820515ba8e3d0971f2f8c8920611b8_44_Li1Pm1P1Pt2

[ "Li", "P", "Pr", "Rh" ]

5

A2BCD

LiP2PrRh

Li1 Pr1 P2 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.03139503, 0, 0 ], [ 0, 4.03139503, 0 ], [ -2.01569752, -2.01569751, 5.05523049 ] ]

agm005022307

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

[ "Li", "Pr", "P", "P", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 3.3347187, 0, 0 ], [ 0, 3.3347187, 0 ], [ 0, 0, 2.9377384 ] ]

-30.181143

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00649241 ], [ 0, 0, -0.00649241 ], [ 0, 0, 0 ] ]

0.000001

1.898789

pbe

true

d733b68c8e5aeb9b0ec0ec9fe615b304_119_Li1Pr1P2Rh1

[ "Ge", "Pt", "Rh" ]

8

A2BC

Ge2PtRh

Ge4 Rh2 Pt2

3

[ 1, 1, 1 ]

3

[ [ 5.59317285, 0, 0 ], [ 0, 5.59317285, 0 ], [ 2.79658643, 2.79658643, 5.51821361 ] ]

agm002833040

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

[ "Ge", "Ge", "Ge", "Ge", "Rh", "Rh", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 5.3592443, 0, 0 ], [ 0, 5.3592443, 0 ], [ 0, 0, 7.55598 ] ]

-46.317293

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

[ [ -0.00501279, 0, 0 ], [ 0.00501279, 0, 0 ], [ 0, 0.00501279, 0 ], [ 0, -0.00501279, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.138139

pbe

true

b7b162c0623dac335a9610c24f9468b9_122_Ge4Rh2Pt2

[ "Ge", "Pt", "Tb" ]

12

ABC

GePtTb

Ge1 Pt1 Tb1

3

[ 1, 1, 1 ]

3

[ [ 7.066355339, 0, 0 ], [ 0, 4.388984562, 0 ], [ 0, 0, 7.650738268 ] ]

oqmd-7936296

[ [ 1.3583, 1.0972499999999998, 0.6851100000000001 ], [ 4.8914800000000005, 1.0972499999999998, 3.1402600000000005 ], [ 2.17487, 3.29174, 4.510480000000001 ], [ 5.708050000000001, 3.29174, 6.965630000000001 ], [ 5.6312, 1.0972499999999998, 0.63524 ], [ 2.09803, 1.0972499999999998, 3.1901300000000004 ], [ 4.96833, 3.29174, 4.460610000000001 ], [ 1.43515, 3.29174, 7.015500000000001 ], [ 3.5196, 3.29174, 1.5582300000000002 ], [ 7.05278, 3.29174, 2.2671400000000004 ], [ 0.013570000000000002, 1.0972499999999998, 5.3836 ], [ 3.5467500000000003, 1.0972499999999998, 6.09251 ] ]

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

[ "Ge", "Ge", "Ge", "Ge", "Pt", "Pt", "Pt", "Pt", "Tb", "Tb", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.25138911, 0, 0 ], [ 0, 3.70747614, 0 ], [ 0, 0, 2.46065976 ] ]

-74.8281

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

[ [ -0.072417, 0, 0.001467 ], [ -0.072417, 0, -0.001467 ], [ 0.072417, 0, 0.001467 ], [ 0.072417, 0, -0.001467 ], [ -0.024876, 0, 0.02277 ], [ -0.024876, 0, -0.02277 ], [ 0.024876, 0, 0.02277 ], [ 0.024876, 0, -0.02277 ], [ -0.021328, 0, 0.041346 ], [ -0.021328, 0, -0.041346 ], [ 0.021328, 0, 0.041346 ], [ 0.021328, 0, -0.041346 ] ]

-0.011324

null

pbe

true

672d23b878d9dc1c89d9f17420be99d4_62_Tb4Ge4Pt4

[ "Cl", "Na", "P", "Rb" ]

10

A6B2CD

Cl6NaPRb2

Rb2 Na1 P1 Cl6

4

[ 1, 1, 1 ]

3

[ [ 7.35958975, 0, 0 ], [ 3.67979487, 6.37359168, 0 ], [ 3.67979487, 2.12453056, 6.00907986 ] ]

agm002166078

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

[ "P", "Na", "Rb", "Rb", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.1, 0.2 ]

[ [ -0.05442696, 0, 0 ], [ 0, -0.05442696, 0 ], [ 0, 0, -0.05442696 ] ]

-33.171417

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.0026465, 0.00187136 ], [ 0.00229193, -0.00132325, 0.00187136 ], [ -0.00229193, 0.00132325, -0.00187136 ], [ -0.00229193, -0.00132325, 0.00187136 ], [ 0.00229193, 0.00132325, -0.00187136 ], [ 0, -0.0026465, -0.00187136 ] ]

0

pbe

true

75a53556ee6a56d5150821fdb68fe893_225_Rb2Na1P1Cl6

[ "Ge", "Pt", "Te" ]

4

A2BC

Ge2PtTe

Ge2 Te1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 3.88189449, 0, 0 ], [ 1.94094725, 3.36181925, 0 ], [ 1.94094725, 1.12060642, 6.54612148 ] ]

agm001989009

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

[ "Ge", "Ge", "Te", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.3867667, 0, 0 ], [ 0, 2.3867667, 0 ], [ 0, 0, 2.5355508 ] ]

-18.930714

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00530358 ], [ 0, 0, 0.00530358 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000003

1.513125

pbe

true

6d7093dcd646fa604f1a2c44b21b3a77_166_Ge2Te1Pt1

[ "Cl", "O", "P", "Re" ]

44

A6B3CD

Cl6O3PRe

Re4 P4 Cl24 O12

4

[ 1, 1, 1 ]

3

[ [ 6.74247319, 0, 0.04951458 ], [ 0, 13.00672157, 0 ], [ -2.37978239, 0, 14.18141385 ] ]

agm003276672

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

[ "Re", "Re", "Re", "Re", "P", "P", "P", "P", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.5454545454545454, 0.2727272727272727, 0.09090909090909091, 0.09090909090909091 ]

[ [ 0.40725872, 0, 0.02124257 ], [ 0, 0.3346359, 0 ], [ 0.02124255, 0, 0.3087015 ] ]

-220.427098

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[ [ -0.00056013, 0.00160476, 0.00205659 ], [ 0.00056013, -0.00160476, -0.00205659 ], [ -0.00056013, -0.00160476, 0.00205659 ], [ 0.00056013, 0.00160476, -0.00205659 ], [ -0.00273397, -0.00130356, 0.00127526 ], [ 0.00273397, 0.00130356, -0.00127526 ], [ -0.00273397, 0.00130356, 0.00127526 ], [ 0.00273397, -0.00130356, -0.00127526 ], [ -0.00077093, -0.00273828, 0.0006233 ], [ 0.00120723, -0.00085048, 0.00058403 ], [ 0.00159388, 0.00185706, 0.00041304 ], [ -0.00035747, -0.00114347, -0.00114793 ], [ -0.00159388, -0.00185706, -0.00041304 ], [ -0.00159388, 0.00185706, -0.00041304 ], [ 0.00031425, -0.00016242, -0.00059511 ], [ 0.00035747, 0.00114347, 0.00114793 ], [ 0.00077093, -0.00273828, -0.0006233 ], [ 0.00159388, -0.00185706, 0.00041304 ], [ 0.00077093, 0.00273828, -0.0006233 ], [ -0.00120723, -0.00085048, -0.00058403 ], [ -0.00119988, 0.00100413, 0.00194236 ], [ 0.00120723, 0.00085048, 0.00058403 ], [ -0.00035747, 0.00114347, -0.00114793 ], [ -0.00031425, -0.00016242, 0.00059511 ], [ 0.00119988, -0.00100413, -0.00194236 ], [ 0.00035747, -0.00114347, 0.00114793 ], [ 0.00031425, 0.00016242, -0.00059511 ], [ -0.00031425, 0.00016242, 0.00059511 ], [ -0.00077093, 0.00273828, 0.0006233 ], [ 0.00119988, 0.00100413, -0.00194236 ], [ -0.00119988, -0.00100413, 0.00194236 ], [ -0.00120723, 0.00085048, -0.00058403 ], [ 0.00039776, -0.00436735, -0.00035566 ], [ -0.00039776, 0.00436735, 0.00035566 ], [ -0.00251637, -0.00175705, -0.00136272 ], [ -0.00251637, 0.00175705, -0.00136272 ], [ 0.00251637, 0.00175705, 0.00136272 ], [ 0.00028777, -0.00020764, -0.00296393 ], [ -0.00028777, -0.00020764, 0.00296393 ], [ 0.00028777, 0.00020764, -0.00296393 ], [ 0.00251637, -0.00175705, 0.00136272 ], [ 0.00039776, 0.00436735, -0.00035566 ], [ -0.00028777, 0.00020764, 0.00296393 ], [ -0.00039776, -0.00436735, 0.00035566 ] ]

0.007475

0

pbe

true

8d6d42eb9ca50ddd06e59ac0e82af8ea_14_Re4P4Cl24O12

[ "Co", "F", "Mg", "O" ]

19

A7B6C5D

Co6F5MgO7

Co6 F5 Mg1 O7

4

[ 1, 1, 1 ]

3

[ [ 5.11037581, -0.82997871, -0.05287006 ], [ -0.79313822, 5.43297063, 0.05061385 ], [ -0.09276388, 0.09351229, 8.58242414 ] ]

mp-2231176

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[ "Mg", "Co", "Co", "Co", "Co", "Co", "Co", "O", "O", "O", "O", "O", "O", "O", "F", "F", "F", "F", "F" ]

2022-05-01 04:26:31

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12.699

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true

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[ "Ge", "Pu", "Rh" ]

9

A6B2C

GePu2Rh6

Pu2 Ge1 Rh6

3

[ 1, 1, 1 ]

3

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agm003487054

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[ "Pu", "Pu", "Ge", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

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-81.343703

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22.35673

pbe

true

99642731d72e2b08b030322d61705716_164_Pu2Ge1Rh6

[ "Ge", "Pu", "Ru" ]

3

ABC

GePuRu

Pu1 Ge1 Ru1

3

[ 1, 1, 1 ]

3

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agm001258252

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[ "Ru", "Ge", "Pu" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-29.132132

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4.42431

9.839479

pbe

true

725591e217c1059d5b6239fa64dd4a8d_187_Pu1Ge1Ru1

[ "Ge", "Rb", "Tl" ]

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A2BC

Ge2RbTl

Rb1 Tl1 Ge2

3

[ 1, 1, 1 ]

3

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agm002678582

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[ "Tl", "Ge", "Ge", "Rb" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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0

3.015991

pbe

true

7ba63feb08449cfc91cd0d9931e638be_225_Rb1Tl1Ge2

[ "Ge", "Rb", "Y" ]

3

ABC

GeRbY

Rb1 Y1 Ge1

3

[ 1, 1, 1 ]

3

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agm003067143

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[ "Y", "Ge", "Rb" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-11.958086

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pbe

true

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[ "Ge", "Re", "Ti" ]

4

A2BC

GeReTi2

Ti2 Re1 Ge1

3

[ 1, 1, 1 ]

3

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agm001978580

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[ "Re", "Ge", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-33.78661

[ 0, 0, 0, 0 ]

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0.000035

2.272932

pbe

true

7a3b771c1fb75fe9180582c18a63e6d7_166_Ti2Re1Ge1

[ "Li", "P", "S", "Zn" ]

120

A8B4C2D

Li4P2S8Zn

Li32 P16 S64 Zn8

4

[ 1, 1, 1 ]

3

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mp-1147741

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

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "Zn", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2018-12-27 11:43:46

[ 0.26666666666666666, 0.13333333333333333, 0.5333333333333333, 0.06666666666666667 ]

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-517.399364

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0

1.66279

pbe

true

4fbfea406502d90c269c5a07e3f3726c_1_Li32Zn8P16S64

[ "Mn", "P", "Pt" ]

4

A2BC

MnPPt2

Mn1 P1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 3.01683638, 0, 0 ], [ 0, 3.5955784, 0 ], [ 0, 0, 5.46873117 ] ]

agm003800957

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

[ "Mn", "P", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.925274, 0, 0 ], [ 0, 5.522818, 0 ], [ 0, 0, 5.902167 ] ]

-27.391739

[ 3.662, -0.054, 0.106, 0.106 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0007819 ], [ 0, 0, 0.0007819 ] ]

3.943036

2.310278

pbe

true

9018d4ab0715eeb1ddd45c80cfcaa8d4_47_Mn1P1Pt2

[ "Li", "Pa", "Rh", "Si" ]

5

A2BCD

LiPaRhSi2

Li1 Pa1 Si2 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.00228815, 0, 0 ], [ 0, 4.00228815, 0 ], [ -2.00114408, -2.00114407, 5.11105795 ] ]

agm005018933

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

[ "Li", "Pa", "Si", "Si", "Rh" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 3.3479311, 0, 0 ], [ 0, 3.3479311, 0 ], [ 0, 0, 3.3187401 ] ]

-33.161722

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00569226 ], [ 0, 0, -0.00569226 ], [ 0, 0, 0 ] ]

0.00005

3.254332

pbe

true

0e2c42def3fc02efbb5015870a5b1113_119_Li1Pa1Si2Rh1

[ "Mg", "Si", "Tc" ]

4

A2BC

Mg2SiTc

Mg2 Si1 Tc1

3

[ 1, 1, 1 ]

3

[ [ 2.76516737, 0, 0 ], [ 0, 4.32263143, 0 ], [ 0, 0, 5.39362462 ] ]

agm003922790

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

[ "Mg", "Mg", "Si", "Tc" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.1096296, 0, 0 ], [ 0, 1.5860326, 0 ], [ 0, 0, 2.047908 ] ]

-18.287368

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.02119018 ], [ 0, 0, -0.02119018 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00001

2.481106

pbe

true

9886939049c70c00a7f462097657ee0e_47_Mg2Si1Tc1

[ "Mn", "P", "Re" ]

4

A2BC

MnPRe2

Mn1 Re2 P1

3

[ 1, 1, 1 ]

3

[ [ -1.84077287, 1.84077287, 3.96192092 ], [ 1.84077287, -1.84077287, 3.96192092 ], [ 1.84077287, 1.84077287, -3.96192092 ] ]

agm004216192

[ [ 0, 0, 3.96192092 ], [ 0, 0, 0 ], [ 1.84077287, 0, 1.98096046 ], [ 1.1102230246251565e-16, 1.84077287, 1.98096046 ] ]

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

[ "Mn", "Re", "Re", "P" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 7.945681, 0, 0 ], [ 0, 7.945681, 0 ], [ 0, 0, 7.6732826 ] ]

-38.713089

[ 2.366, 0.019, -0.033, -0.014 ]

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

2.414035

3.688618

pbe

true

11e06467d3daf9806024624269d5ae30_119_Mn1Re2P1

[ "Mn", "Pt", "Tm" ]

4

A2BC

MnPtTm2

Tm2 Mn1 Pt1

3

[ 1, 1, 1 ]

3

[ [ 3.47417267, 0, 0 ], [ 0, 4.8648782, 0 ], [ 0, 0, 4.8648782 ] ]

agm001242306

[ [ 1.737086335, 0, 0 ], [ 0, 0, 2.4324391 ], [ 0, 2.4324391, 0 ], [ 1.737086335, 2.4324391, 2.4324391 ] ]

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

[ "Mn", "Tm", "Tm", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.9849685, 0, 0 ], [ 0, 2.323827, 0 ], [ 0, 0, 2.323827 ] ]

-26.386939

[ 3.295, -0.141, -0.141, 0.069 ]

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

3.219241

4.383647

pbe

true

816d0bfd37323cce9f47971140093e6a_123_Tm2Mn1Pt1

[ "Li", "Pb", "S", "Tb" ]

12

A3BCD

LiPbS3Tb

Li1 Pb1 S3 Tb1

4

[ 1, 1, 1 ]

3

[ [ 1.998939239, -6.467155789, 0 ], [ 1.998939239, 6.467155789, 0 ], [ 0, 0, 10.386500881 ] ]

oqmd-8692504

[ [ 1.99894, -6.16409, 2.5966300000000007 ], [ 1.99894, 6.16409, 7.78988 ], [ 1.99894, 3.1952900000000004, 2.5966300000000007 ], [ 1.99894, -3.19529, 7.78988 ], [ 1.99894, -4.72356, 0.71725 ], [ 1.99894, -1.0138100000000003, 2.5966300000000007 ], [ 1.99894, -4.72356, 4.47601 ], [ 1.99894, 4.72356, 5.9105 ], [ 1.99894, 1.01381, 7.78988 ], [ 1.99894, 4.72356, 9.66926 ], [ 1.99894, -1.2244700589366906e-16, 0 ], [ 1.99894, -1.2244700589366906e-16, 5.19325 ] ]

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

[ "Li", "Li", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "Tb", "Tb" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 7.65796767, 0, 0 ], [ 0, 6.82649859, 0 ], [ 0, 0, 6.88096545 ] ]

-61.3505

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

[ [ 0, 0.020498, 0 ], [ 0, -0.020498, 0 ], [ 0, 0.005675, 0 ], [ 0, -0.005675, 0 ], [ 0, 0.029683, -0.008205 ], [ 0, -0.025045, 0 ], [ 0, 0.029683, 0.008205 ], [ 0, -0.029683, -0.008205 ], [ 0, 0.025045, 0 ], [ 0, -0.029683, 0.008205 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.026775

null

pbe

true

9906c4c51e08d469ea6177d9478bdab2_63_Li2Tb2Pb2S6

[ "Be", "Ir", "Sn" ]

5

A3BC

BeIr3Sn

Be1 Sn1 Ir3

3

[ 1, 1, 1 ]

3

[ [ 4.21334625, 0, 0 ], [ 0, 4.21334625, 0 ], [ 0, 0, 4.21334625 ] ]

agm002423001

[ [ 0, 0, 0 ], [ 0, 2.106673125, 0 ], [ 0, 0, 2.106673125 ], [ 2.106673125, 0, 0 ], [ 2.106673125, 2.106673125, 2.106673125 ] ]

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

[ "Be", "Ir", "Ir", "Ir", "Sn" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ -0.7655952, 0, 0 ], [ 0, -0.7655952, 0 ], [ 0, 0, -0.7655952 ] ]

-33.646487

[ 0, 0, 0, 0, 0 ]

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

-0

3.155909

pbe

true

4fa7bdcbea5b4fcd8ca20fc587481fed_221_Be1Sn1Ir3

[ "Mn", "Pt", "Y" ]

4

A2BC

MnPt2Y

Y1 Mn1 Pt2

3

[ 1, 1, 1 ]

3

[ [ 3.90535185, 0, 0 ], [ 0, 4.26550424, 0 ], [ 0, 0, 4.26550424 ] ]

agm002345064

[ [ 0, 0, 0 ], [ 0, 2.13275212, 2.13275212 ], [ 1.952675925, 0, 2.13275212 ], [ 1.952675925, 2.13275212, 0 ] ]

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

[ "Y", "Mn", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.2263011, 0, 0 ], [ 0, 8.951154, 0 ], [ 0, 0, 8.951154 ] ]

-30.625234

[ -0.07, 3.7, 0.032, 0.097 ]

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

3.887927

2.198725

pbe

true

a70fada67324d5b9b0a0f6b39a109fad_123_Y1Mn1Pt2

[ "Be", "Ir", "Sr" ]

4

A2BC

Be2IrSr

Sr1 Be2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 3.01944351, 0, 0 ], [ 0, 3.01956611, 0 ], [ 0, 0, 6.94190875 ] ]

agm004046631

[ [ 1.509721755, 1.509783055, 5.2064315625 ], [ 1.509721755, 1.509783055, 1.7354771875 ], [ 0, 0, 0.6316471233450874 ], [ 0, 0, 2.8393072516549123 ] ]

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

[ "Sr", "Ir", "Be", "Be" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -1.1823653, 0, 0 ], [ 0, -1.2231442, 0 ], [ 0, 0, -0.10923822 ] ]

-18.095768

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00049915 ], [ 0, 0, -0.00049915 ] ]

-0.000099

2.012888

pbe

true

a2b99bf9551a154cec0785fd186a70a3_123_Sr1Be2Ir1

[ "Ge", "Rh", "Sc" ]

14

A3B3C

Ge3Rh3Sc

Sc2 Ge6 Rh6

3

[ 1, 1, 1 ]

3

[ [ 6.6631725, 0, 0 ], [ 0, 6.6631725, 0 ], [ 0, 0, 6.6631725 ] ]

agm005400629

[ [ 3.33158625, 3.33158625, 3.33158625 ], [ 0, 0, 0 ], [ 0, 1.665793125, 3.33158625 ], [ 0, 4.9973793749999995, 3.33158625 ], [ 3.33158625, 0, 4.9973793749999995 ], [ 4.9973793749999995, 3.33158625, 0 ], [ 3.33158625, 0, 1.665793125 ], [ 1.665793125, 3.33158625, 0 ], [ 1.665793125, 0, 3.33158625 ], [ 0, 3.33158625, 1.665793125 ], [ 3.33158625, 4.9973793749999995, 0 ], [ 4.9973793749999995, 0, 3.33158625 ], [ 0, 3.33158625, 4.9973793749999995 ], [ 3.33158625, 1.665793125, 0 ] ]

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

[ "Sc", "Sc", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]

[ [ 6.813417, 0, 0 ], [ 0, 6.813417, 0 ], [ 0, 0, 6.813417 ] ]

-85.467628

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

0.001187

13.965852

pbe

true

255ba3d7da8451dc0507ba4b6b3095f1_223_Sc2Ge6Rh6

[ "Be", "Ir", "Tb" ]

4

A2BC

Be2IrTb

Tb1 Be2 Ir1

3

[ 1, 1, 1 ]

3

[ [ 3.88537814, 0, 0 ], [ 1.94268907, 3.36483617, 0 ], [ 1.94268907, 1.12161206, 4.82480704 ] ]

agm001993107

[ [ 5.8280672099999995, 3.3648361719623994, 2.8404601111003775 ], [ 1.94268907, 1.1216120580376001, 1.9843469288996223 ], [ 3.88537814, 2.243224115, 2.41240352 ], [ 0, 0, 0 ] ]

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

[ "Be", "Be", "Ir", "Tb" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -0.24280971, 0, 0 ], [ 0, -0.24280971, 0 ], [ 0, 0, -0.55612254 ] ]

-22.998851

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00532436 ], [ 0, 0, 0.00532436 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000197

2.628706

pbe

true

ef88aa3eefdac50660297b5aa92d0b8f_166_Tb1Be2Ir1

[ "Be", "Ir", "W" ]

4

A2BC

BeIrW2

Be1 Ir1 W2

3

[ 1, 1, 1 ]

3

[ [ 2.74860267, 0.00603791, 0 ], [ -0.00791713, 2.74863324, 0 ], [ 0, 0, 7.30624695 ] ]

agm004377813

[ [ 1.37034277, 1.377335575, 1.8265617375 ], [ 1.37034277, 1.377335575, 5.4796852125 ], [ 0, 0, 0.16182978988149452 ], [ 0, 0, 3.4912936851185057 ] ]

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

[ "Be", "Ir", "W", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.01821224, 0.44244075, 0 ], [ 0.44244075, 0.02270544, 0 ], [ 0, 0, 0.21550038 ] ]

-38.745575

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0002654 ], [ 0, 0, 0.0002654 ] ]

-0.000005

0.97482

pbe

true

25192f048a89744b60434d8e0b103071_123_Be1Ir1W2

[ "Li", "Pd", "Se", "Tm" ]

12

A3BCD

LiPdSe3Tm

Li1 Pd1 Se3 Tm1

4

[ 1, 1, 1 ]

3

[ [ 1.941202397, -6.948456844, 0 ], [ 1.941202397, 6.948456844, 0 ], [ 0, 0, 10.074864689 ] ]

oqmd-9023304

[ [ 1.9412, -4.06556, 2.51872 ], [ 1.9412, 4.06556, 7.55615 ], [ 1.9412, 0.11345999999999992, 2.51872 ], [ 1.9412, -0.11346000000000005, 7.55615 ], [ 1.9412, 1.9269099999999997, 0.77737 ], [ 1.9412, 5.450559999999999, 2.51872 ], [ 1.9412, 1.9269099999999997, 4.26007 ], [ 1.9412, -1.9269099999999992, 5.814800000000001 ], [ 1.9411999999999996, -5.45056, 7.55615 ], [ 1.9412, -1.9269099999999992, 9.2975 ], [ 0, 0, 0 ], [ 0, 0, 5.03743 ] ]

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

[ "Li", "Li", "Pd", "Pd", "Se", "Se", "Se", "Se", "Se", "Se", "Tm", "Tm" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.54456125, 0, 0 ], [ 0, 3.15837955, 0 ], [ 0, 0, 3.52937993 ] ]

-56.7927

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

[ [ 0, -0.050808, 0 ], [ 0, 0.050808, 0 ], [ 0, 0.01679, 0 ], [ 0, -0.01679, 0 ], [ 0, 0.016451, -0.000553 ], [ 0, 0.007265, 0 ], [ 0, 0.016451, 0.000553 ], [ 0, -0.016451, -0.000553 ], [ 0, -0.007265, 0 ], [ 0, -0.016451, 0.000553 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.001045

null

pbe

true

05e56bd1f2486df3e27fead678185778_63_Li2Tm2Pd2Se6

[ "Mg", "Sr", "Ti" ]

4

A2BC

MgSrTi2

Sr1 Mg1 Ti2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.64110169, 3.64110169 ], [ 3.64110169, 0, 3.64110169 ], [ 3.64110169, 3.64110169, 0 ] ]

agm002698024

[ [ 3.64110169, 3.64110169, 3.64110169 ], [ 0, 0, 0 ], [ 1.820550845, 1.820550845, 1.820550845 ], [ 5.461652535000001, 5.461652535000001, 5.461652535000001 ] ]

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

[ "Sr", "Mg", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.1814758, 0, 0 ], [ 0, 1.1814758, 0 ], [ 0, 0, 1.1814758 ] ]

-16.027582

[ 0.045, 0.001, 0.772, 0.772 ]

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

2.167202

4.579362

pbe

true

f046b6afdc252feb0a4f973956b26337_225_Sr1Mg1Ti2

[ "Li", "Pd", "Si", "Tb" ]

5

A2BCD

LiPdSi2Tb

Li1 Tb1 Si2 Pd1

4

[ 1, 1, 1 ]

3

[ [ 4.00651829, 0, 0 ], [ 0, 4.00651829, 0 ], [ -2.00325914, -2.00325914, 5.28554312 ] ]

agm005018903

[ [ 2.4999999848063226e-9, 2.0032591475, 2.64277156 ], [ 0, 0, 0 ], [ 2.003259166133705, 2.003259166133705, 1.1639967354191176 ], [ -1.6133705111107002e-8, -1.6133705111107002e-8, 4.121546384580882 ], [ 2.0032591475, 2.4999999848063226e-9, 2.64277156 ] ]

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

[ "Li", "Tb", "Si", "Si", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 2.2246068, 0, 0 ], [ 0, 2.2246068, 0 ], [ 0, 0, 1.925827 ] ]

-26.485527

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00834426 ], [ 0, 0, -0.00834426 ], [ 0, 0, 0 ] ]

-0.000006

2.14112

pbe

true

988c8383a87093a82af8170451e49570_119_Li1Tb1Si2Pd1

[ "Co", "Hf", "Tm", "Zn" ]

5

A2BCD

Co2HfTmZn

Co2 Hf1 Tm1 Zn1

4

[ 1, 1, 1 ]

3

[ [ -2.001026553, 2.665174499, 3.834171416 ], [ 2.001026553, -2.665174499, 3.834171416 ], [ 2.001026553, 2.665174499, -3.834171416 ] ]

oqmd-6459269

[ [ -3.181684709892987e-17, 1.5103399999999998, 3.8529500000000008 ], [ 2.00103, 1.15483, 0.018780000000000133 ], [ -2.1197056285456504e-17, -5.287945493674744e-17, 1.58332 ], [ -1.8473218059787918e-17, 5.4874266463398665e-17, 6.07313 ], [ 2.0010299999999996, 4.399990368222131e-17, 3.80851 ] ]

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

[ "Co", "Co", "Hf", "Tm", "Zn" ]

2024-11-01 00:00:00

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 7.66576286, 0, 0 ], [ 0, 7.84233937, 0 ], [ 0, 0, 7.81152112 ] ]

-31.5717

[ 0.013, 0.013, -0.006, -0.005, -0.001 ]

[ [ 0, -0.011781, 0.051761 ], [ 0, 0.011781, 0.051761 ], [ 0, 0, 0.046584 ], [ 0, 0, -0.044929 ], [ 0, 0, -0.105176 ] ]

0.010229

null

pbe

true

0d945a44dff05c546c699f72b2c4d3df_44_Tm1Hf1Zn1Co2

[ "Ge", "Rh", "Th" ]

14

A3B3C

Ge3Rh3Th

Th2 Ge6 Rh6

3

[ 1, 1, 1 ]

3

[ [ 6.66810466, 0, 0 ], [ 0, 6.66810466, 0 ], [ 0, 0, 6.66810466 ] ]

agm005404024

[ [ 0, 1.667026165, 3.33405233 ], [ 0, 5.001078495, 3.33405233 ], [ 3.33405233, 0, 5.001078495 ], [ 5.001078495, 3.33405233, 0 ], [ 3.33405233, 0, 1.667026165 ], [ 1.667026165, 3.33405233, 0 ], [ 1.667026165, 0, 3.33405233 ], [ 0, 3.33405233, 1.667026165 ], [ 3.33405233, 5.001078495, 0 ], [ 5.001078495, 0, 3.33405233 ], [ 0, 3.33405233, 5.001078495 ], [ 3.33405233, 1.667026165, 0 ], [ 3.33405233, 3.33405233, 3.33405233 ], [ 0, 0, 0 ] ]

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

[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.42857142857142855, 0.42857142857142855, 0.14285714285714285 ]

[ [ 6.50786, 0, 0 ], [ 0, 6.50786, 0 ], [ 0, 0, 6.50786 ] ]

-90.072856

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

-0.000003

15.223788

pbe

true

7fc3671d385b1a9098e20d5860dbe2cb_223_Th2Ge6Rh6

[ "Li", "Pd", "Th", "Zn" ]

5

A2BCD

LiPd2ThZn

Li1 Th1 Zn1 Pd2

4

[ 1, 1, 1 ]

3

[ [ 3.86072715, 0, 0 ], [ 0, 3.86072715, 0 ], [ -1.93036358, -1.93036357, 6.39875254 ] ]

agm005006107

[ [ 1.9303635725000001, 2.500000095828625e-9, 3.19937627 ], [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9303635775, 3.19937627 ], [ 1.9303635932306413, 1.9303635953766305, 1.3731653204437315 ], [ -2.323064134909762e-8, -1.537663032243607e-8, 5.025587219556269 ] ]

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[ "Li", "Th", "Zn", "Pd", "Pd" ]

2023-11-16 06:57:59

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6f32a98362a8b9959ffc7ec38dfd21a0_119_Li1Th1Zn1Pd2

[ "Li", "Pm", "Se", "Th" ]

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LiPm2Se5Th

Li2 Pm4 Th2 Se10

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

[ "Li", "Li", "Pm", "Pm", "Pm", "Pm", "Th", "Th", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

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