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[
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|
A3B2C
|
DyTm2Zn3
|
Dy1 Tm2 Zn3
| 3
|
[
1,
1,
1
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agm003434447
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|
[
"Dy",
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2023-11-16 06:57:59
|
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pbe
| true
|
538ea3eff4190485b8e0e55e4e0a6893_123_Dy1Tm2Zn3
|
[
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|
A3B2C
|
Er2Ga3Ir
|
Er2 Ga3 Ir1
| 3
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[
1,
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1
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agm005819016
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[
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2023-11-16 06:57:59
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pbe
| true
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1ae42c3d626e24233e9afda58f1ecbab_8_Er2Ga3Ir1
|
[
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] | 11
|
A8B2C
|
Er2Ga8Li
|
Li1 Er2 Ga8
| 3
|
[
1,
1,
1
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agm003534359
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[
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2023-11-16 06:57:59
|
[
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| 3.514514
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pbe
| true
|
7666619de413f1fcba62f71c60a15fbc_123_Li1Er2Ga8
|
[
"Er",
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|
A3BC
|
Er3GaN
|
Er6 Ga2 N2
| 3
|
[
1,
1,
1
] | 3
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[
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0
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agm002291746
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0.0005779122542096063,
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|
[
"N",
"N",
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2023-11-16 06:57:59
|
[
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0.2
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[
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[
-0.00040344,
0.03542701,
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] | 0.685567
| 6.627092
|
pbe
| true
|
7d4117d9075a8d3cf66dff27447863ad_63_Er6Ga2N2
|
[
"Er",
"Ga",
"Ru"
] | 17
|
A7B6C4
|
Er4Ga6Ru7
|
Er4 Ga6 Ru7
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.82529042,
0,
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[
-3.41264471,
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0,
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agm005712007
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2.5594840325,
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[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Er",
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2023-11-16 06:57:59
|
[
0.23529411764705882,
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0.4117647058823529
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[
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[
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0,
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0,
0,
0
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] | 0.001662
| 24.879957
|
pbe
| true
|
d2e825ee7e18a9ade525d5fe22026cfd_229_Er4Ga6Ru7
|
[
"Er",
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"Na"
] | 4
|
A2BC
|
Er2GdNa
|
Na1 Gd1 Er2
| 3
|
[
1,
1,
1
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|
[
[
3.51681145,
0,
0
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0,
3.51681145,
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[
0,
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agm001814325
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0,
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0,
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[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]
|
[
"Na",
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"Er",
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2023-11-16 06:57:59
|
[
0.5,
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0.25
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] | -23.90413
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[
0,
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[
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[
0,
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0
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0,
0,
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[
0,
0,
0.00322131
]
] | -7.144332
| 5.284749
|
pbe
| true
|
6492d12ce0dd3e626651443373bdd362_123_Na1Gd1Er2
|
[
"Er",
"Hg",
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] | 14
|
A4B2C
|
Er4HgPb2
|
Er8 Hg2 Pb4
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.28514718,
0,
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[
0,
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agm003449406
|
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[
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4.9302536625,
4.6148237372159455
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] |
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}]
|
[
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] |
2023-11-16 06:57:59
|
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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Li4 Er6 In10
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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A6B3C
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2023-11-16 06:57:59
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10.1047344375
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|
[
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2023-11-16 06:57:59
|
[
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| 7.475878
|
pbe
| true
|
e1cece8fe0651fe326e84672ccf91813_63_Er6Ni4P6
|
[
"Er",
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ABC
|
ErOsZn
|
Er2 Zn2 Os2
| 3
|
[
1,
1,
1
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[
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agm005697078
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|
[
"Er",
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2023-11-16 06:57:59
|
[
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| 4.287582
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pbe
| true
|
502d8bbe341595d6aa58adbe8f1d7adc_74_Er2Zn2Os2
|
[
"Er",
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|
A2BC
|
ErP2Pa
|
Er1 Pa1 P2
| 3
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[
1,
1,
1
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[
[
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agm005125305
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|
[
"Er",
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"P"
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2023-11-16 06:57:59
|
[
0.25,
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0.25
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| 2.530783
|
pbe
| true
|
939c21acbb751289a02876b5113de4dc_160_Er1Pa1P2
|
[
"Er",
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|
A2BC
|
ErPbSc2
|
Er2 Sc4 Pb2
| 3
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[
1,
1,
1
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|
[
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agm005653932
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[
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|
[
"Er",
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2023-11-16 06:57:59
|
[
0.25,
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0.5
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[
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| 8.812052
|
pbe
| true
|
67df0f4c679561390a168b9fbb1581f8_11_Er2Sc4Pb2
|
[
"Er",
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|
A12B6C
|
Er12Pm6Pr
|
Pm6 Pr1 Er12
| 3
|
[
1,
1,
1
] | 3
|
[
[
8.38558956,
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agm003693926
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"Er",
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2023-11-16 06:57:59
|
[
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[
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|
pbe
| true
|
e9e40182b944a0dbb5fc9ae14ffc3e42_166_Pm6Pr1Er12
|
[
"Er",
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ABC
|
ErRhSn
|
Er2 Sn2 Rh2
| 3
|
[
1,
1,
1
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[
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agm002235805
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|
[
"Rh",
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2023-11-16 06:57:59
|
[
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[
0,
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[
0,
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| 2.779828
|
pbe
| true
|
dcd242ba8e33d2a01956d0e4a252a387_194_Er2Sn2Rh2
|
[
"Eu",
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] | 3
|
ABC
|
EuGdPd
|
Eu1 Gd1 Pd1
| 3
|
[
1,
1,
1
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|
[
[
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agm001279214
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|
[
"Eu",
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2023-11-16 06:57:59
|
[
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[
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[
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[
0,
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| 10.936687
|
pbe
| true
|
02966f0e717e94cdb2f27fadc434f9de_156_Eu1Gd1Pd1
|
[
"Eu",
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|
A2BC
|
Eu2GaN
|
Eu4 Ga2 N2
| 3
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[
1,
1,
1
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[
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agm002292555
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8.13403758
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] |
[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
|
[
"Eu",
"Eu",
"Eu",
"Eu",
"Ga",
"Ga",
"N",
"N"
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2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
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[
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0.153,
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[
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| 5.811868
|
pbe
| true
|
eb984e4a2941df61b53b8dbd4c736873_194_Eu4Ga2N2
|
[
"Eu",
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] | 4
|
A2BC
|
EuHoTm2
|
Eu1 Ho1 Tm2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.56291777,
0,
0
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[
0,
3.56291777,
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0,
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10.23134373
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agm001162385
|
[
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|
[
"Eu",
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"Tm",
"Ho"
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2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
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[
0,
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[
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0.043
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[
[
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[
0,
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0,
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0
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| 5.436855
|
pbe
| true
|
97d1fa7e4555a6972020cbfeff025c34_123_Eu1Ho1Tm2
|
[
"Fe",
"Ni",
"Sc"
] | 3
|
ABC
|
FeNiSc
|
Sc1 Fe1 Ni1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.14426708,
0,
0
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2.07213354,
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0
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2.07213354,
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3.3837799
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agm003937748
|
[
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2.07213354,
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[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Fe",
"Ni",
"Sc"
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2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
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0
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[
0,
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-1.4350396
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[
2.68,
0.474,
-0.249
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[
[
0,
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0
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[
0,
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0
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[
0,
0,
0
]
] | 2.770268
| 2.680002
|
pbe
| true
|
46943ff76553a57b6e3416ba7ac4235d_216_Sc1Fe1Ni1
|
[
"Eu",
"Mg",
"Pd"
] | 8
|
A2BC
|
EuMg2Pd
|
Eu2 Mg4 Pd2
| 3
|
[
1,
1,
1
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|
[
[
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agm002161624
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[
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2.051132655
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6.153397965
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|
[
"Eu",
"Eu",
"Mg",
"Mg",
"Mg",
"Mg",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
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0
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[
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0.003,
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0
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[
-0.00043413,
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| 21.63505
|
pbe
| true
|
5ce4b5bea8107a17af9f04b9879d259b_63_Eu2Mg4Pd2
|
[
"Eu",
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|
A3B3C
|
EuNa3Se3
|
Na3 Eu1 Se3
| 3
|
[
1,
1,
1
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[
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0
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[
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agm2000056853
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7.706654460195612
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[
5.258779636029114,
1.479305277093237,
9.770101749597961
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
|
[
"Na",
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"Na",
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] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
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[
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0
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[
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6.581,
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[
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[
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0.00342691
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[
0.00096259,
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0
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| 10.041337
|
pbe
| true
|
eb52f59ff3662b8b40dc625c07828596_6_Na3Eu1Se3
|
[
"Eu",
"Ni",
"Sn"
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|
ABC
|
EuNiSn
|
Eu2 Ni2 Sn2
| 3
|
[
1,
1,
1
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|
[
[
4.49051064,
0,
0
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[
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[
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agm002297259
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6.167852991856305
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[
2.245255342452553,
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
|
[
"Eu",
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2023-11-16 06:57:59
|
[
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[
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[
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|
[
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[
[
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[
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0,
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[
0,
0,
0.00595448
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[
0,
0,
0.00595448
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| 5.937086
|
pbe
| true
|
458a5c0507adacb1504298bb0c6edaae_194_Eu2Ni2Sn2
|
[
"Eu",
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"Sm"
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|
A2BC
|
EuSc2Sm
|
Sm1 Eu1 Sc2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.51489636,
0,
0
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[
2.75744818,
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0
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[
2.75744818,
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agm001097456
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[{"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]
|
[
"Eu",
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"Sc",
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2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
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[
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[
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[
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[
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[
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[
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[
0,
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[
0,
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| 5.801356
|
pbe
| true
|
4d9dd782f974e26abde618fa99a64aa4_225_Sm1Eu1Sc2
|
[
"F",
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|
A3BC
|
F3FeLi
|
Li2 Fe2 F6
| 3
|
[
1,
1,
1
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[
[
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agm005507129
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|
[
"Li",
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2023-11-16 06:57:59
|
[
0.6,
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[
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[
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| 0
|
pbe
| true
|
513db477c69049850c8feca8bcb7786b_11_Li2Fe2F6
|
[
"F",
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|
A8B3C
|
F8FeNa3
|
Na3 Fe1 F8
| 3
|
[
1,
1,
1
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|
[
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agm005975178
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|
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"Na",
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2023-11-16 06:57:59
|
[
0.6666666666666666,
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Pm2 Fe1 F8
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2023-11-16 06:57:59
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FILa3
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2023-11-16 06:57:59
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F10K2Sc3
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2023-11-16 06:57:59
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A3BC
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FK3Te
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K12 Te4 F4
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2023-11-16 06:57:59
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e1de130bb45e31afdd4a6a74fb416c1f_15_K12Te4F4
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F4LaRb
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2023-11-16 06:57:59
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pbe
| true
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32692ad8b6d551856c7e998f081770a1_141_Rb2La2F8
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A9B3C
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F9Li3Nb
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Li6 Nb2 F18
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1
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agm006004446
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2023-11-16 06:57:59
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[
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pbe
| true
|
3c6f8328b080275574b29bae50668350_9_Li6Nb2F18
|
[
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|
A11B5C
|
F11Mn5O
|
F11 Mn5 O1
| 3
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[
1,
1,
1
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[
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mp-883909
|
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|
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2014-12-24 15:54:27
|
[
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[] | -57.403662
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[] | 19.125
| -0.133357
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pbe
| true
|
c778158309ff0bed61d3547c3302ee6f_1_Mn5O1F11
|
[
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|
A6B2C
|
F6Mn2Sr
|
Sr1 Mn2 F6
| 3
|
[
1,
1,
1
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|
[
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agm003504874
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|
[
"Sr",
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2023-11-16 06:57:59
|
[
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pbe
| true
|
9d023c501afd168e351461645e9431a5_12_Sr1Mn2F6
|
[
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|
A2BC
|
FO2P
|
P2 O4 F2
| 3
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[
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1,
1
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[
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agm002169648
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|
[
"P",
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2023-11-16 06:57:59
|
[
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[
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[
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pbe
| true
|
fa614db8276edf4261e8f08d86361650_9_P2O4F2
|
[
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|
A2BC
|
FOsSb2
|
Sb2 Os1 F1
| 3
|
[
1,
1,
1
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|
[
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agm002673941
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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"Sb",
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2023-11-16 06:57:59
|
[
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[
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| 3.494951
|
pbe
| true
|
eccd73067bd162532ea313797bf7c437_225_Sb2Os1F1
|
[
"F",
"Pu",
"Sb"
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|
A2B2C
|
FPu2Sb2
|
Pu4 Sb4 F2
| 3
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[
1,
1,
1
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[
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agm003405520
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|
[
"Pu",
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2023-11-16 06:57:59
|
[
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| 34.070816
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pbe
| true
|
83492d4a659801304fadfcdaf5701f09_36_Pu4Sb4F2
|
[
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A3BC
|
FRb3Ti
|
Rb3 Ti1 F1
| 3
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[
1,
1,
1
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[
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agm002474405
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|
[
"F",
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2023-11-16 06:57:59
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[
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[
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| 8.013033
|
pbe
| true
|
e5bac60604da14746ca8efcd7be7355e_221_Rb3Ti1F1
|
[
"F",
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A2BC
|
FZnZr2
|
Zr2 Zn1 F1
| 3
|
[
1,
1,
1
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|
[
[
0,
3.26254328,
3.26254328
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agm002670558
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
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2023-11-16 06:57:59
|
[
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[
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[
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[
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[
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[
0,
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[
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| 4.372662
|
pbe
| true
|
716a2e435be12665acf674f409a60130_225_Zr2Zn1F1
|
[
"Fe",
"H",
"U"
] | 13
|
A7B5C
|
Fe5H7U
|
U1 Fe5 H7
| 3
|
[
1,
1,
1
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|
[
[
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agm006067981
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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
|
[
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2023-11-16 06:57:59
|
[
0.38461538461538464,
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[
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[
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| 8.240413
|
pbe
| true
|
7ee8c482615bc49259088cbed2677bf5_1_U1Fe5H7
|
[
"Fe",
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] | 12
|
A9B2C
|
Fe9Hf2Y
|
Y1 Hf2 Fe9
| 3
|
[
1,
1,
1
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|
[
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4.7703815,
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2.17392348,
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agm005925300
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
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2023-11-16 06:57:59
|
[
0.75,
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[
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[
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| 9.621062
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pbe
| true
|
c01bbf4696f7f4b0c3e5e38f83749c75_166_Y1Hf2Fe9
|
[
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A2BC
|
FeHf2W
|
Hf4 Fe2 W2
| 3
|
[
1,
1,
1
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|
[
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[
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agm002829882
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
|
[
"Hf",
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2023-11-16 06:57:59
|
[
0.25,
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[
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[
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[
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[
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|
pbe
| true
|
54941fee0fd9f49b4b9aa4fb3961e7fb_122_Hf4Fe2W2
|
[
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|
A2BC
|
FeInMg2
|
Mg4 In2 Fe2
| 3
|
[
1,
1,
1
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|
[
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agm002850139
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[
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Mg",
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2023-11-16 06:57:59
|
[
0.25,
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[
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[
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[
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[
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2.415,
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[
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[
0,
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0,
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| 10.630667
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pbe
| true
|
0569c51b49cae8ec2dd9d30734acc99e_122_Mg4In2Fe2
|
[
"Fe",
"In",
"Nb"
] | 4
|
A2BC
|
Fe2InNb
|
Nb1 In1 Fe2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.10167814,
0,
0
],
[
0,
3.10167814,
0
],
[
0,
0,
6.13712282
]
] |
agm001815086
|
[
[
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1.55083907,
0
],
[
0,
0,
4.731258095962177
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[
0,
0,
1.4058647240378228
],
[
1.55083907,
1.55083907,
3.06856141
]
] |
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
|
[
"Nb",
"Fe",
"Fe",
"In"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
5.796174,
0,
0
],
[
0,
5.796174,
0
],
[
0,
0,
5.5334864
]
] | -29.522592
|
[
-0.07,
0.144,
0.144,
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[
[
0,
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0
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[
0,
0,
-0.00896492
],
[
0,
0,
0.00896492
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[
0,
0,
0
]
] | 0.17942
| 1.344447
|
pbe
| true
|
a75649b4ba33628e3b7a0d13e3404f2e_123_Nb1In1Fe2
|
[
"Fe",
"K",
"O"
] | 7
|
A3B3C
|
FeK3O3
|
K3 Fe1 O3
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.5413008,
0,
0
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[
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6.28009154,
0
],
[
-1.51376693,
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]
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agm003549812
|
[
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2.714421592192401
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3.14004577,
5.43871881
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3.8732391842477383
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5.376261456373269,
1.5654796257522618
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1.5824999911685487,
1.8076601672534611,
0
]
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
|
[
"K",
"K",
"K",
"Fe",
"O",
"O",
"O"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] |
[
[
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0,
0
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[
0,
3.0879273,
0
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[
0,
0,
3.0879273
]
] | -32.307242
|
[
0.003,
0.003,
0.003,
3.195,
-0.065,
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-0.065
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[
[
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0.00151088
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[
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[
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0.00266587
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[
-0.00036917,
0.00153914,
-0.00266587
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[
-0.00036917,
-0.00307828,
0
]
] | 2.999121
| 5.720523
|
pbe
| true
|
0571ab23ccfe291f958c856a0b9e28fa_160_K3Fe1O3
|
[
"Fe",
"Mg",
"Zr"
] | 6
|
ABC
|
FeMgZr
|
Mg2 Zr2 Fe2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.1127618,
0,
0
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[
0,
4.60342392,
0
],
[
-1.5563809,
0,
7.44215285
]
] |
agm001061824
|
[
[
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6.487407917035392
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[
1.556382471944709,
3.45256794,
0.9547449329646086
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1.556380884436191,
1.15085598,
4.23836312938736
],
[
1.5563809025845852e-8,
3.45256794,
3.2037897206126407
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
|
[
"Fe",
"Fe",
"Zr",
"Zr",
"Mg",
"Mg"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
[
3.998927,
0,
0
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[
0,
3.9205625,
0
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[
0,
0,
3.528101
]
] | -37.292555
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[
0,
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0,
0,
0
] |
[
[
0,
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[
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[
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[
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-0.00203475
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[
0,
0,
0.00212905
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[
0,
0,
-0.00212905
]
] | -0.000001
| 3.299766
|
pbe
| true
|
d47f6e02b3e3731304fcf86f634c7468_63_Mg2Zr2Fe2
|
[
"Fe",
"Mn",
"Sm"
] | 5
|
A2B2C
|
Fe2MnSm2
|
Sm2 Mn1 Fe2
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.88745449,
0.00209474,
0.00122728
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[
1.9430663,
5.23630092,
0.83512484
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[
1.94350197,
2.05761521,
4.88680423
]
] |
agm002376578
|
[
[
0,
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0
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[
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3.8487555923762007
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[
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1.8744007576237993
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[
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3.9847427435402283
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[
1.944661550460956,
2.216121409231032,
1.738413606459772
]
] |
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
|
[
"Mn",
"Fe",
"Fe",
"Sm",
"Sm"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.4
] |
[
[
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0.05353304
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[
0.06836695,
4.1780434,
-0.08193232
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[
0.05353368,
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4.218635
]
] | -34.942741
|
[
-1.567,
1.187,
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[
[
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[
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[
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[
-0.00001988,
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-0.00058637
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[
0.00001988,
0.00067273,
0.00058637
]
] | 0.630613
| 5.071841
|
pbe
| true
|
381d732d3e60021989e2d9e63f1cd1e6_71_Sm2Mn1Fe2
|
[
"Fe",
"Ni",
"Zn"
] | 9
|
A6B2C
|
Fe2Ni6Zn
|
Zn1 Fe2 Ni6
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.12906201,
0,
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[
0,
6.90423953,
0
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[
-1.92030327,
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3.79998118
]
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agm003489595
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[
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3.721385765
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4.727557537515081,
1.2448999620122934
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[
2.064531005,
5.583700225336946,
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] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Zn",
"Fe",
"Fe",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] |
2023-11-16 06:57:59
|
[
0.2222222222222222,
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0.1111111111111111
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[
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[
0,
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0
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[
0.10057318,
0,
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]
] | -52.200019
|
[
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2.702,
0.542,
0.542,
0.542,
0.416,
0.542,
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[
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0
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[
0.00000475,
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0.00313245
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[
0,
0.00072712,
0
]
] | 8.184104
| 8.857213
|
pbe
| true
|
461ddfb440882b2b3ecbb9368b702afb_71_Zn1Fe2Ni6
|
[
"Fe",
"Np",
"Y"
] | 12
|
A4BC
|
Fe4NpY
|
Y2 Np2 Fe8
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.7894688,
0,
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[
0,
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0
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[
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agm003757180
|
[
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3.8980522747274198
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0.08812205448914588,
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[
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0
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[
0.6814165467585044,
1.8680946916859082,
5.555066257854978
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] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
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"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.6666666666666666,
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[
[
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[
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[
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] | -104.514413
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1.691,
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1.573,
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1.573
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[
0,
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0
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[
0.00242984,
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] | 8.529538
| 10.344732
|
pbe
| true
|
c505cb085ef38549890bc33361bfb391_12_Y2Np2Fe8
|
[
"Fe",
"Os",
"S"
] | 5
|
A3BC
|
Fe3OsS
|
Fe3 Os1 S1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.01352886,
0,
0
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[
0,
4.01352886,
0
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[
0,
0,
4.01352886
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] |
agm002584503
|
[
[
0,
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2.00676443
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[
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2.00676443,
0
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[
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2.00676443
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[
2.00676443,
0,
0
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] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
|
[
"S",
"Os",
"Fe",
"Fe",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.6,
0.2,
0.2
] |
[
[
6.3081517,
0,
0
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[
0,
6.3081517,
0
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[
0,
0,
6.3081517
]
] | -36.524783
|
[
0.001,
0.005,
0.002,
0.007,
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[
[
0,
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0
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.014136
| 15.946671
|
pbe
| true
|
b12397789fe5228050d92a1674990cfc_221_Fe3Os1S1
|
[
"Fe",
"P",
"S"
] | 8
|
A2BC
|
FeP2S
|
Fe2 P4 S2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.30083635,
0.21838244,
0.1178167
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5.51783786,
2.62775925
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] |
agm005787779
|
[
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5.597811407265204
],
[
0.583996722824784,
3.572440252150506,
2.8003321301300046
]
] |
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Fe",
"Fe",
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"P",
"P",
"P",
"S",
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] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
1.4899739,
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[
0.02688829,
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[
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1.5329894
]
] | -47.790632
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[
0,
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[
[
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[
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0.00144099,
0.00485658
],
[
0.00426795,
-0.00373149,
0.00006505
],
[
0.00469537,
0.00005823,
-0.00297913
],
[
0.00447421,
0.00204497,
-0.0007897
],
[
-0.00325585,
-0.00102281,
-0.00158928
],
[
-0.00065202,
0.00029299,
-0.00244805
],
[
-0.000803,
-0.00010835,
-0.00076486
]
] | 0
| 0.297952
|
pbe
| true
|
a34c6b7ef7609dfc71bfc234d24117f7_8_Fe2P4S2
|
[
"Fe",
"P",
"Sc"
] | 4
|
A2BC
|
FeP2Sc
|
Sc1 Fe1 P2
| 3
|
[
1,
1,
1
] | 3
|
[
[
2.88250964,
0,
0
],
[
0,
2.88075956,
0
],
[
0,
0,
6.48833545
]
] |
agm004265836
|
[
[
1.44125482,
1.44037978,
4.8662515875
],
[
0,
0,
6.221060863857959
],
[
0,
0,
3.5114423111420408
],
[
1.44125482,
1.44037978,
1.6220838625
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
|
[
"Fe",
"P",
"P",
"Sc"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.282655,
0,
0
],
[
0,
3.5138795,
0
],
[
0,
0,
3.3622017
]
] | -27.227196
|
[
0.503,
-0.005,
-0.005,
-0.064
] |
[
[
0,
0,
0
],
[
0,
0,
-0.0064289
],
[
0,
0,
0.0064289
],
[
0,
0,
0
]
] | 0.373874
| 2.906311
|
pbe
| true
|
b101626d8b7e10cbf49cb172496474bb_123_Sc1Fe1P2
|
[
"Fe",
"Pa",
"Ru"
] | 4
|
A2BC
|
FePa2Ru
|
Pa2 Fe1 Ru1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.77839936,
0,
0
],
[
2.38919968,
4.13821524,
0
],
[
2.38919968,
1.37940508,
3.90154674
]
] |
agm001090568
|
[
[
4.77839936,
2.75881016,
1.95077337
],
[
2.38919968,
1.37940508,
0.975386685
],
[
7.16759904,
4.13821524,
2.926160055
],
[
0,
0,
0
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]
|
[
"Ru",
"Pa",
"Pa",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
2.5454347,
0,
0
],
[
0,
2.5454347,
0
],
[
0,
0,
2.5454347
]
] | -37.249877
|
[
0.118,
-0.38,
-0.38,
0.899
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.09066
| 6.436731
|
pbe
| true
|
5209f9c9822267018894ffecd62aae8f_225_Pa2Fe1Ru1
|
[
"Fe",
"Pb",
"Th"
] | 14
|
A4B2C
|
FePb2Th4
|
Th8 Fe2 Pb4
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.29681894,
0,
-0.78633374
],
[
0,
6.77173382,
0
],
[
-3.21642172,
0,
9.98367416
]
] |
agm003449400
|
[
[
2.3464605367341127,
3.306568552621036,
2.210026489234368
],
[
-2.3096001988419315,
5.078800364999999,
9.044994926596942
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[
5.389997418841931,
1.692933455,
0.15234549340305814
],
[
2.3464605367341127,
0.079298357378964,
2.210026489234368
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[
3.6106070720030723,
1.692933455,
5.3654255543485005
],
[
0.7339366832658867,
6.692435462621035,
6.987313930765631
],
[
0.7339366832658867,
3.4651652673789637,
6.987313930765631
],
[
-0.5302098520030732,
5.078800364999999,
3.8319148656514996
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[
0.5477258403672607,
5.078800364999999,
1.5811570183695538
],
[
2.5326713796327387,
1.692933455,
7.616183401630446
],
[
4.254194800004147,
5.078800364999999,
-0.021915626089308395
],
[
-1.1737975800041478,
1.692933455,
9.219256046089308
],
[
0.04916792048028815,
1.692933455,
4.157515429676612
],
[
3.0312292995197114,
5.078800364999999,
5.039824990323388
]
] |
[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
|
[
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Th",
"Fe",
"Fe",
"Pb",
"Pb",
"Pb",
"Pb"
] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
] |
[
[
1.5171651,
0,
0.02843119
],
[
0,
1.4738219,
0
],
[
0.02843129,
0,
1.3884257
]
] | -93.764268
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
-0.00357224,
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-0.00072133
],
[
0.00119143,
0,
0.00085283
],
[
-0.00119143,
0,
-0.00085283
],
[
-0.00357224,
0.00318801,
-0.00072133
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[
0.00102993,
0,
0.00232863
],
[
0.00357224,
-0.00318801,
0.00072133
],
[
0.00357224,
0.00318801,
0.00072133
],
[
-0.00102993,
0,
-0.00232863
],
[
-0.00647909,
0,
0.00504406
],
[
0.00647909,
0,
-0.00504406
],
[
0.00323243,
0,
0.00229062
],
[
-0.00323243,
0,
-0.00229062
],
[
-0.00305468,
0,
0.00018648
],
[
0.00305468,
0,
-0.00018648
]
] | 0.000021
| 14.304018
|
pbe
| true
|
c529843d80270074c77cc6f269f459bf_11_Th8Fe2Pb4
|
[
"Fe",
"Pt",
"Zr"
] | 8
|
A2BC
|
FePtZr2
|
Zr4 Fe2 Pt2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.18713675,
0,
0
],
[
0,
4.18713675,
0
],
[
2.09356837,
2.09356837,
9.05756424
]
] |
agm002830841
|
[
[
3.118274542851865,
1.04678418625,
2.26439106
],
[
1.068862204648135,
3.14035256125,
2.26439106
],
[
3.1403525587499996,
3.1624305771481347,
6.79317318
],
[
5.2339209337499994,
5.211842915351864,
6.79317318
],
[
0,
0,
0
],
[
4.187136747499999,
2.0935683725,
4.52878212
],
[
2.093568375,
2.093568375,
0
],
[
2.0935683725,
4.187136747499999,
4.52878212
]
] |
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
|
[
"Zr",
"Zr",
"Zr",
"Zr",
"Pt",
"Pt",
"Fe",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
] |
[
[
1.9513776,
0,
0
],
[
0,
1.9513776,
0
],
[
0,
0,
2.4531417
]
] | -61.573726
|
[
-0.116,
-0.115,
-0.106,
-0.108,
0.008,
0.007,
2.252,
2.249
] |
[
[
0.0035349,
0,
0
],
[
-0.0035349,
0,
0
],
[
0,
-0.0035349,
0
],
[
0,
0.0035349,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.978857
| 7.424994
|
pbe
| true
|
46623056dbaf8c9df38e5960ee0a2882_122_Zr4Fe2Pt2
|
[
"Fe",
"Pu",
"Si"
] | 4
|
A2BC
|
FePu2Si
|
Pu2 Fe1 Si1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.86990463,
0,
0
],
[
0,
3.49690661,
0
],
[
0,
0,
3.49690661
]
] |
agm001242463
|
[
[
2.434952315,
1.748453305,
1.748453305
],
[
2.434952315,
0,
0
],
[
0,
0,
1.748453305
],
[
0,
1.748453305,
0
]
] |
[{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
|
[
"Si",
"Fe",
"Pu",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
3.0833063,
0,
0
],
[
0,
2.4578001,
0
],
[
0,
0,
2.4578001
]
] | -42.399647
|
[
-0.025,
1.834,
-0.155,
-0.155
] |
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.5125
| 7.355905
|
pbe
| true
|
ce9cfaf3d61e01547a1f35fba1c12b32_123_Pu2Fe1Si1
|
[
"Fe",
"Ru",
"Zn"
] | 4
|
A2BC
|
Fe2RuZn
|
Zn1 Fe2 Ru1
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.53770534,
-0.46397756,
0.11080337
],
[
3.3677444,
3.07641716,
0.11080337
],
[
1.50041938,
0.49582948,
3.37588281
]
] |
agm004210044
|
[
[
1.5005295455365943,
0.4958658853683864,
3.3758501595959145
],
[
4.702824394463406,
1.5540981346316136,
1.7987774254040854
],
[
7.05440184,
2.33120181,
2.6981171625
],
[
2.35146728,
0.77706727,
0.8993723874999999
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
|
[
"Fe",
"Fe",
"Ru",
"Zn"
] |
2023-11-16 06:57:59
|
[
0.5,
0.25,
0.25
] |
[
[
6.7816834,
-0.08552156,
-0.17262602
],
[
-0.08552156,
7.012217,
-0.0570461
],
[
-0.17262568,
-0.05704598,
7.3874226
]
] | -27.059439
|
[
2.583,
2.583,
0.679,
-0.042
] |
[
[
-0.00115913,
-0.00038305,
0.00060398
],
[
0.00115913,
0.00038305,
-0.00060398
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.796327
| 3.652181
|
pbe
| true
|
3158dfd9d213361dd14072d9e171173e_139_Zn1Fe2Ru1
|
[
"Fe",
"Sc",
"Sn"
] | 12
|
A4BC
|
FeSc4Sn
|
Sc8 Fe2 Sn2
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.42419084,
0.0738181,
-1.15528277
],
[
-2.09796508,
6.66537236,
-2.60917905
],
[
0.13965199,
-0.3042959,
7.45148915
]
] |
agm005805118
|
[
[
3.4321925546496956,
4.170866452395479,
3.2256886738105033
],
[
-1.6603777389382108,
6.24007130646953,
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],
[
3.065604705387635,
1.304757987105865,
1.321682064905566
],
[
0.8946768623949232,
4.8907588078343585,
-2.0351016732918414
],
[
2.5712008876050763,
1.5441357521656414,
5.722129003291841
],
[
0.4002730446123643,
5.130136572894134,
2.365345265094434
],
[
5.12625548893821,
0.19482325353046998,
4.219085578278261
],
[
0.03368519535030371,
2.264028107604521,
0.461338656189496
],
[
-0.7405862153676217,
6.6796638028210324,
-2.8919823010389476
],
[
4.206463965367622,
-0.2447692428210324,
6.579009631038948
],
[
2.7957918664557773,
4.149136670444291,
0.23644472492750213
],
[
0.6700858835442222,
2.2857578895557085,
3.4505826050724977
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Sc",
"Fe",
"Fe",
"Sn",
"Sn"
] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
0.6666666666666666,
0.16666666666666666
] |
[
[
2.99574,
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0.01351812
],
[
-0.0073839,
2.89194,
-0.12831397
],
[
0.01351686,
-0.12831438,
2.9876506
]
] | -79.862848
|
[
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] |
[
[
0.00119495,
0.00487636,
-0.00179965
],
[
-0.00367357,
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-0.00262122
],
[
-0.00262362,
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[
0.0027528,
0.00326133,
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[
-0.0027528,
-0.00326133,
0.00151869
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[
0.00262362,
0.00042636,
0.00462389
],
[
0.00367357,
0.00039335,
0.00262122
],
[
-0.00119495,
-0.00487636,
0.00179965
],
[
0.00020733,
-0.00064577,
0.00093217
],
[
-0.00020733,
0.00064577,
-0.00093217
],
[
-0.00012064,
0.00037576,
-0.00054241
],
[
0.00012064,
-0.00037576,
0.00054241
]
] | -0.000247
| 12.61234
|
pbe
| true
|
5048e6561c8e99f700fb491e9010b8b2_15_Sc8Fe2Sn2
|
[
"Fe",
"Sc",
"Te"
] | 5
|
A3BC
|
FeSc3Te
|
Sc3 Fe1 Te1
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.25211359,
0,
0
],
[
0,
5.25211359,
0
],
[
0,
0,
5.25211359
]
] |
agm002589229
|
[
[
0,
2.626056795,
0
],
[
0,
0,
2.626056795
],
[
2.626056795,
0,
0
],
[
0,
0,
0
],
[
2.626056795,
2.626056795,
2.626056795
]
] |
[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
|
[
"Sc",
"Sc",
"Sc",
"Te",
"Fe"
] |
2023-11-16 06:57:59
|
[
0.2,
0.6,
0.2
] |
[
[
2.0815089,
0,
0
],
[
0,
2.0815089,
0
],
[
0,
0,
2.0815089
]
] | -27.792619
|
[
-0.088,
-0.17,
-0.13,
-0.004,
3.318
] |
[
[
0,
0,
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0,
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0
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0,
0
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] | 2.705759
| 7.57144
|
pbe
| true
|
00bfdefafe9270f7ce2702ffa4d3f4e0_221_Sc3Fe1Te1
|
[
"Fe",
"Te",
"Ti"
] | 10
|
A3BC
|
FeTe3Ti
|
Ti2 Fe2 Te6
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.40636394,
2e-8,
0
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6.4e-7,
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0
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agm2000109333
|
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|
[
"Ti",
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"Fe",
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"Te",
"Te",
"Te",
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2023-11-16 06:57:59
|
[
0.2,
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[
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2e-8,
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| 2.713274
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pbe
| true
|
7e9e0ebebb531ad4af2377b3dc03d52a_38_Ti2Fe2Te6
|
[
"Fe",
"Ti",
"V"
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|
A6B5C
|
Fe6TiV5
|
Ti1 V5 Fe6
| 3
|
[
1,
1,
1
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|
[
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3.87955401,
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1.29289237
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agm006068480
|
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[
"V",
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"V",
"V",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
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2023-11-16 06:57:59
|
[
0.5,
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0.4166666666666667
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[
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| 13.110888
|
pbe
| true
|
8632ec6079c816553177437f0f04c3b7_65_Ti1V5Fe6
|
[
"Fe",
"Tl",
"Zn"
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|
A2BC
|
FeTlZn2
|
Tl2 Zn4 Fe2
| 3
|
[
1,
1,
1
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|
[
[
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0,
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[
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agm002830786
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|
[
"Tl",
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2023-11-16 06:57:59
|
[
0.25,
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| 9.985761
|
pbe
| true
|
5c2d9a862ea1373c612525ed4f8f96f4_122_Tl2Zn4Fe2
|
[
"Ga",
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|
A3B2C2
|
Ga3Gd2Rh2
|
Gd2 Ga3 Rh2
| 3
|
[
1,
1,
1
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[
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agm002276356
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|
[
"Gd",
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2023-11-16 06:57:59
|
[
0.42857142857142855,
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[
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[
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[
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0.00208153,
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| 4.795179
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pbe
| true
|
6cf784adc961ed2b1233c1ef377f9a7e_12_Gd2Ga3Rh2
|
[
"Ga",
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|
A4BC
|
GaGeHo4
|
Ho8 Ga2 Ge2
| 3
|
[
1,
1,
1
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[
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5.67788227,
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agm003733341
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ho",
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2023-11-16 06:57:59
|
[
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| 16.187897
|
pbe
| true
|
21861f41ff83ad09b8a3fc9929fbe3b3_11_Ho8Ga2Ge2
|
[
"Ga",
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|
A4BC
|
Ga4HoLi
|
Li1 Ho1 Ga4
| 3
|
[
1,
1,
1
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[
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1e-8,
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agm005762397
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[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Li",
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2023-11-16 06:57:59
|
[
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[
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0.00045597,
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| 1.736514
|
pbe
| true
|
5e9b1b94cdd10918c9ad8f4f0a0c627f_71_Li1Ho1Ga4
|
[
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|
A3B3C2
|
Ga3Ir2Nd3
|
Nd6 Ga6 Ir4
| 3
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[
1,
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1
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[
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agm003331199
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[
0.000002136671719069876,
2.3421771184845603,
1.6882811853216424
]
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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
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"Ga",
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"Ir",
"Ir",
"Ir"
] |
2023-11-16 06:57:59
|
[
0.375,
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0.375
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[
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| 11.193061
|
pbe
| true
|
8ca9a980c3336df7141eed1cc0c314ad_63_Nd6Ga6Ir4
|
[
"Ga",
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] | 10
|
A2B2C
|
Ga2Ir2Pd
|
Ga4 Ir4 Pd2
| 3
|
[
1,
1,
1
] | 3
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[
[
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0,
0
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[
0,
7.24771753,
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[
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agm002978236
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3.623858765,
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ir",
"Ir",
"Ir",
"Ir",
"Ga",
"Ga",
"Ga",
"Ga",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.4,
0.4,
0.2
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[
[
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[
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[
0,
0,
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]
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[
-0.001,
0.001,
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| 5.7851
|
pbe
| true
|
37de96a5b303263ded1d98a42615081a_127_Ga4Ir4Pd2
|
[
"Ga",
"Ir",
"Pu"
] | 5
|
A2B2C
|
GaIr2Pu2
|
Pu2 Ga1 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.29217805,
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[
2.14144101,
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2.14145081,
1.77489709,
4.69663486
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agm002337735
|
[
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4.287527652311777,
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3.269114234735782
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[
2.143783593825188,
2.030833260531284,
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ir",
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"Pu",
"Pu"
] |
2023-11-16 06:57:59
|
[
0.2,
0.4,
0.4
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[
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[
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[
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[
[
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[
-0.00002798,
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| 15.87377
|
pbe
| true
|
61fb65e0c6f25d37c8362c555e184388_71_Pu2Ga1Ir2
|
[
"Ga",
"Ir",
"Ti"
] | 7
|
A4B2C
|
GaIr2Ti4
|
Ti4 Ga1 Ir2
| 3
|
[
1,
1,
1
] | 3
|
[
[
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1e-8,
1.31032544
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[
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agm006002564
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[
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[
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2.420285219166246
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[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ti",
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] |
2023-11-16 06:57:59
|
[
0.14285714285714285,
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0.5714285714285714
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[
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[
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[
[
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0.0011086
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[
0.00034635,
0.00021299,
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| 6.963431
|
pbe
| true
|
fa37b4b068523ba18636671fcf6f940a_166_Ti4Ga1Ir2
|
[
"Ga",
"La",
"Pr"
] | 10
|
A5B4C
|
Ga4La5Pr
|
La5 Pr1 Ga4
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.76542943,
0,
0
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[
0,
3.76542943,
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[
0,
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20.35313899
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agm006117234
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[
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"La",
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"La",
"La",
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"Ga",
"Ga",
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] |
2023-11-16 06:57:59
|
[
0.4,
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0.1
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[
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[
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[
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[
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[
0,
0,
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[
0,
0,
0.00200697
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| 8.966389
|
pbe
| true
|
6b756374a6dc30f6209ede1f7e005f21_123_La5Pr1Ga4
|
[
"Ga",
"Li",
"Mg"
] | 10
|
A5B4C
|
GaLi5Mg4
|
Li5 Mg4 Ga1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.00683363,
0,
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[
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agm006079078
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[
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3.250292391214675,
1.7689891956275339,
5.88413706461839
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[
1.503416815,
0,
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Li",
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"Li",
"Mg",
"Mg",
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"Mg",
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] |
2023-11-16 06:57:59
|
[
0.1,
0.5,
0.4
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[
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[
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] | -19.153366
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[
0,
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[
[
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[
0.00044034,
0.00752423,
0.00158828
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[
0,
0,
0
]
] | -0.000008
| 3.46627
|
pbe
| true
|
af8fac1993dcf17e4cebba699861ed10_12_Li5Mg4Ga1
|
[
"Ga",
"Li",
"Pm"
] | 6
|
ABC
|
GaLiPm
|
Li2 Pm2 Ga2
| 3
|
[
1,
1,
1
] | 3
|
[
[
6.03841096,
0,
0
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[
3.01920547,
5.10578874,
0
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[
3.01920548,
0,
4.73813916
]
] |
agm001039662
|
[
[
7.548013695,
2.55289437,
2.36906958
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[
4.528808215,
2.55289437,
2.36906958
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6.0384109568360875,
1.6154270348581874,
0
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3.490361705141813,
4.73813916
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9.05761643,
5.10578874,
3.082464944030254
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[
3.01920548,
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1.6556742159697464
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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": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Ga",
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"Li",
"Pm",
"Pm"
] |
2023-11-16 06:57:59
|
[
0.3333333333333333,
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[
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0,
0
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[
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0
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[
0,
0,
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] | -20.342531
|
[
0,
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0
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[
[
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[
0,
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[
0,
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0
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[
0,
0,
0.00193503
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[
0,
0,
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] | -0.000001
| 4.630225
|
pbe
| true
|
78f33bacc25a1c4b92145e6c2887ac23_69_Li2Pm2Ga2
|
[
"Ga",
"Li",
"Pr"
] | 20
|
A5B3C2
|
Ga3Li5Pr2
|
Li10 Pr4 Ga6
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.80723041,
0,
0
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[
2.90361521,
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[
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] |
agm003346411
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2023-11-16 06:57:59
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pbe
| true
|
d6ca3c9274e9ab4aa55e6ace8f28d59c_72_Li10Pr4Ga6
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[
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A2BC
|
GaLiSe2
|
Li2 Ga2 Se4
| 3
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[
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1
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[
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agm003091766
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|
[
"Se",
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2023-11-16 06:57:59
|
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pbe
| true
|
cc4e531f34d94a9272f084e270ad90b4_42_Li2Ga2Se4
|
[
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A5B4C2
|
Ga2Na5Sb4
|
Na5 Ga2 Sb4
| 3
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1
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agm003360119
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2023-11-16 06:57:59
|
[
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| 1.178285
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pbe
| true
|
06a6da349b4105b60a1b24f7dcdbcd35_71_Na5Ga2Sb4
|
[
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|
A2B2C
|
Ga2NaSn2
|
Na2 Ga4 Sn4
| 3
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[
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agm003389947
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[
"Na",
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2023-11-16 06:57:59
|
[
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| 2.466268
|
pbe
| true
|
9f90f3e3f22c8ebf75af86421250c275_11_Na2Ga4Sn4
|
[
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|
A2B2C
|
GaNb2Te2
|
Ga1 Nb2 Te2
| 3
|
[
1,
1,
1
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[
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oqmd-4114984
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|
[
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2024-11-01 00:00:00
|
[
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pbe
| true
|
42062478e08aeddfd4e62945299bf901_139_Nb2Ga1Te2
|
[
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A3BC
|
GaNb3V
|
Nb12 V4 Ga4
| 3
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[
1,
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1
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[
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agm003731607
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2023-11-16 06:57:59
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[
0,
-0.00044658,
0.0005674
]
] | 0.000037
| 17.05893
|
pbe
| true
|
d32e26f6d8725c6cb67c5c5dc5be51ad_15_Nb12V4Ga4
|
[
"Ga",
"Nd",
"Pr"
] | 4
|
A2BC
|
GaNd2Pr
|
Pr1 Nd2 Ga1
| 3
|
[
1,
1,
1
] | 3
|
[
[
3.76332312,
0,
0
],
[
1.88166156,
3.25913343,
0
],
[
1.88166156,
1.08637781,
10.51247692
]
] |
agm005117643
|
[
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2.1727556091362215,
5.246862276710282
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[
1.8816615788166156,
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1.086377799136222,
2.1920636847290145
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[
3.7633212571550554,
2.172754544485968,
0.010657654226265198
]
] |
[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Pr",
"Nd",
"Nd",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.25,
0.5,
0.25
] |
[
[
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0,
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[
0,
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[
0,
0,
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]
] | -17.997879
|
[
0,
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[
[
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0,
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[
0,
0,
0.00013089
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[
0,
0,
0.00363064
]
] | -0.000033
| 4.34707
|
pbe
| true
|
aa0d5eb590437c028c985579deb30200_160_Pr1Nd2Ga1
|
[
"Ga",
"Ni",
"Zr"
] | 10
|
A2B2C
|
Ga2Ni2Zr
|
Zr2 Ga4 Ni4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.87383659,
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agm003402016
|
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5.854107053379153
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[
2.0316984166333194,
2.2187206580531518,
1.947405651400042
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Zr",
"Zr",
"Ga",
"Ga",
"Ga",
"Ga",
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"Ni",
"Ni",
"Ni"
] |
2023-11-16 06:57:59
|
[
0.4,
0.4,
0.2
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[
[
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[
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[
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[
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0
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[
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| 2.543054
|
pbe
| true
|
6bc889b58fbea244212f7829b150529d_15_Zr2Ga4Ni4
|
[
"Ga",
"Np",
"Pd"
] | 8
|
A2BC
|
GaNpPd2
|
Np2 Ga2 Pd4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.42731657,
0,
0
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[
-2.21365828,
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0
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[
0,
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agm002275640
|
[
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[
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[{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Np",
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"Ga",
"Ga",
"Pd",
"Pd",
"Pd",
"Pd"
] |
2023-11-16 06:57:59
|
[
0.25,
0.25,
0.5
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[
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[
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[
0,
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[
3.755,
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0.001,
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[
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0,
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| 20.696497
|
pbe
| true
|
a651333a858db963ada8cbc9908d2a87_194_Np2Ga2Pd4
|
[
"Ga",
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|
A12B6C
|
Ga6Pd12Th
|
Th1 Ga6 Pd12
| 3
|
[
1,
1,
1
] | 3
|
[
[
7.24704805,
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agm003685575
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[
1.584002515581912,
4.37144193393195,
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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
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] |
2023-11-16 06:57:59
|
[
0.3157894736842105,
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0.05263157894736842
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[
[
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[
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[
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[
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| 8.96655
|
pbe
| true
|
f4875933feddd3e5e31037ca4f17274e_166_Th1Ga6Pd12
|
[
"Ga",
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"Tm"
] | 6
|
A4BC
|
GaPt4Tm
|
Tm1 Ga1 Pt4
| 3
|
[
1,
1,
1
] | 3
|
[
[
5.34806281,
0,
0
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[
2.67403141,
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0
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[
2.67403141,
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agm001176128
|
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2.73119499919425
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[
4.006091438313002,
3.8624930046704105,
2.73119499919425
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] |
[{"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"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
|
[
"Tm",
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"Pt",
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] |
2023-11-16 06:57:59
|
[
0.16666666666666666,
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[
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[
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] | -36.192349
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[
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[
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[
0.00064732,
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] | -0.000004
| 2.971451
|
pbe
| true
|
7f82d6e32a0f1acf069d30f6486d0b1a_216_Tm1Ga1Pt4
|
[
"Ga",
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"Y"
] | 10
|
A2B2C
|
Ga2RhY2
|
Y4 Ga4 Rh2
| 3
|
[
1,
1,
1
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|
[
[
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0,
0
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[
0,
6.99746795,
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[
0,
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4.24339813
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agm002978819
|
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4.411826850226268,
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0
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[
0.913092875226268,
2.585641099773732,
0
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[{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
|
[
"Y",
"Y",
"Y",
"Y",
"Rh",
"Rh",
"Ga",
"Ga",
"Ga",
"Ga"
] |
2023-11-16 06:57:59
|
[
0.4,
0.2,
0.4
] |
[
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3.8142889,
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[
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[
0,
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] | -59.671695
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[
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[
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[
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0
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[
0.00631327,
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]
] | 0
| 6.657087
|
pbe
| true
|
ac82d0d22af883be0cf280b2a184f0d5_127_Y4Ga4Rh2
|
[
"Ga",
"Rh",
"Yb"
] | 10
|
A2B2C
|
GaRh2Yb2
|
Yb4 Ga2 Rh4
| 3
|
[
1,
1,
1
] | 3
|
[
[
4.3590442,
0,
0
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[
0,
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[
0,
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agm002213659
|
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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