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"band_gap": 0.7885,
"pretty_formula": "V6O7F5",
"e_above_hull": 0.0396758561111152,
"elements": "['F', 'O', 'V']",
"spacegroup.number": 1
}
} |
[
[
0.625,
0.625,
0.125
],
[
0.625,
0.625,
0.625
],
[
0.625,
0.125,
0.625
],
[
0.125,
0.625,
0.625
],
[
0,
0,
0
],
[
0.25,
0.25,
0.25
],
[
0.809615,
0.396795,
0.396795
],
[
0.853205,
0.440385,
0... | [
27,
27,
27,
27,
80,
80,
8,
8,
8,
8,
8,
8,
8,
8
] | [
[
5.368945933550624,
0,
3.099762380000001
],
[
1.789648644516875,
5.061890769916781,
3.099762380000001
],
[
0,
0,
6.19952476
]
] | {
"object": {
"material_id": "mp-754069",
"formation_energy_per_atom": -1.0263511914285712,
"band_gap": 1.517,
"pretty_formula": "Co2HgO4",
"e_above_hull": 0.043796831071428,
"elements": "['Co', 'Hg', 'O']",
"spacegroup.number": 227
}
} |
[
[
0.5,
0.5,
0.5
],
[
0,
0,
0
],
[
0.889671,
0.232193,
0.644927
],
[
0.767807,
0.355073,
0.110329
],
[
0.355073,
0.110329,
0.767807
],
[
0.644927,
0.889671,
0.232193
],
[
0.232193,
0.644927,
0.889671
],
[
... | [
3,
25,
9,
9,
9,
9,
9,
9
] | [
[
4.466577455961346,
0,
3.0159637166761075
],
[
1.6026587593551114,
4.169148482743744,
3.0159637166761075
],
[
0,
0,
5.38946728
]
] | {
"object": {
"material_id": "mp-752752",
"formation_energy_per_atom": -2.3648296845330457,
"band_gap": 0,
"pretty_formula": "LiMnF6",
"e_above_hull": 0,
"elements": "['F', 'Li', 'Mn']",
"spacegroup.number": 148
}
} |
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