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0,
3.7219622948032393e-16
],
[
-3.0392125683488334,
5.2640712453745815,
3.7219622948032393e-16
],
[
0,
0,
3.869017
]
] | {
"object": {
"material_id": "mp-4829",
"formation_energy_per_atom": -3.845326318678161,
"band_gap": 6.5168,
"pretty_formula": "Na2ThF6",
"e_above_hull": 0,
"elements": "['F', 'Na', 'Th']",
"spacegroup.number": 150
}
} |
[
[
0.25,
0.5,
0.632346
],
[
0.25,
0,
0.8689
],
[
0.75,
0,
0.1311
],
[
0.75,
0.5,
0.367654
],
[
0.75,
0.5,
0.925767
],
[
0.25,
0.5,
0.074233
],
[
0,
0,
0.5
],
[
0.5,
0,
0.5
],
[
0.75,
... | [
37,
37,
37,
37,
81,
81,
79,
79,
79,
79,
79,
79
] | [
[
5.827308,
0,
3.5681970449228824e-16
],
[
-4.269063632721712e-16,
6.97191,
4.269063632721712e-16
],
[
0,
0,
9.292276
]
] | {
"object": {
"material_id": "mp-867851",
"formation_energy_per_atom": -0.2769961288888887,
"band_gap": 0,
"pretty_formula": "Rb2TlAu3",
"e_above_hull": 0,
"elements": "['Au', 'Rb', 'Tl']",
"spacegroup.number": 51
}
} |
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