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0.675939,
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0
],
[
0.324061,
0.324061,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.864323,
0.864323,
0
],
[
0.135677,
0.135677,
0
],
[
0.5,
0.5,
0
]
] | [
56,
56,
56,
56,
33,
33,
8
] | [
[
5.024561897241082,
0,
-8.030464744074859
],
[
-0.41405190238635153,
5.00747274394351,
-8.030464744074859
],
[
0,
0,
9.47283412
]
] | {
"object": {
"material_id": "mp-8300",
"formation_energy_per_atom": -1.5792508235714284,
"band_gap": 0.7184000000000004,
"pretty_formula": "Ba4As2O",
"e_above_hull": 0,
"elements": "['Ba', 'As', 'O']",
"spacegroup.number": 139
}
} |
[
[
0.5,
0,
0
],
[
0,
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0
],
[
0.5,
0.5,
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],
[
0,
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[
0,
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[
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],
[
0.807744,
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[
0.307744,
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[
... | [
60,
60,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | [
[
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],
[
-3.7247914064830556e-16,
6.083046,
3.7247914064830556e-16
],
[
0,
0,
7.665499
]
] | {
"object": {
"material_id": "mp-1104008",
"formation_energy_per_atom": -0.3435224228571429,
"band_gap": 0,
"pretty_formula": "NdGa6",
"e_above_hull": 0,
"elements": "['Ga', 'Nd']",
"spacegroup.number": 125
}
} |
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