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"pretty_formula": "Mn3O5F",
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"elements": "['F', 'Mn', 'O']",
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}
} |
[
[
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],
[
0.507091,
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],
[
0.492909,
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],
[
0.992909,
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],
[
0.5,
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0.5
],
[
0,
0.5,
0.5
],
[
0,
0.5,
0
],
[
0.5,
0,
0
],
[
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63,
63,
63,
63,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
[
5.41771,
0,
3.3173906051043034e-16
],
[
-3.3522507885654323e-16,
5.474641,
3.3522507885654323e-16
],
[
0,
0,
7.649895
]
] | {
"object": {
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"band_gap": 0,
"pretty_formula": "EuNiO3",
"e_above_hull": 0,
"elements": "['Eu', 'Ni', 'O']",
"spacegroup.number": 62
}
} |
[
[
0,
0,
0
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[
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[
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0.5
],
[
0.64761,
0.64761,
0
],
[
0.35239,
0.35239,
0
]
] | [
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28,
28,
34,
34
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[
3.759395876426469,
0,
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[
-0.2941182736076152,
3.747872969675255,
-6.194497213557263
],
[
0,
0,
7.24602326
]
] | {
"object": {
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"pretty_formula": "K(NiSe)2",
"e_above_hull": 0.051119948000001,
"elements": "['K', 'Ni', 'Se']",
"spacegroup.number": 139
}
} |
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