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0.235535,
0.255398,
0.122284
],
[
0.264465,
0.255398,
0.622284
],
[
0.764465,
0.744602,
0.877716
],
[
0.756071,
0.217037,
0.386491
],
[
0.256071,
0.782963,
0.113509
],
[
0.243929,
... | [
83,
83,
83,
83,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
[
5.111149,
0,
3.129676131407598e-16
],
[
-3.835788304747457e-16,
6.264317691301822,
2.23667276740877
],
[
0,
0,
8.46099427
]
] | {
"object": {
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"band_gap": 3.0329000000000006,
"pretty_formula": "BiBO3",
"e_above_hull": 0,
"elements": "['B', 'Bi', 'O']",
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}
} |
[
[
0.174878,
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],
[
0.825122,
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],
[
0.325122,
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],
[
0.674878,
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],
[
0.430081,
0.569919,
0.356249
],
[
0.569919,
0.430081,
0.643751
],
[
0.069919,
... | [
11,
11,
11,
11,
23,
23,
23,
23,
7,
7,
7,
7,
7,
7,
7,
7
] | [
[
6.64457869,
0,
4.0686310121956067e-16
],
[
-4.052474932252473,
5.265726245359461,
4.0686310121956067e-16
],
[
0,
0,
6.883845
]
] | {
"object": {
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"formation_energy_per_atom": -0.8231559810129312,
"band_gap": 0.9449999999999998,
"pretty_formula": "NaVN2",
"e_above_hull": 0,
"elements": "['Na', 'V', 'N']",
"spacegroup.number": 64
}
} |
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