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"nsites": 136,
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"elements": [
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],
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"density": 3.9871403500201157,
"density_atomic": 0.06565351111151994,
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"formula_full": "Fe28 Sb12 P12 Cl12 O72",
"formula_reduced": "Fe7Sb3P3(ClO6)3",
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"energy": -1002.99464296,
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"updated_at": "2021-11-28T01:35:29.913000Z",
"spacegroup": 62
},
{
"id": "mp-1185524",
"created_at": "2022-09-04T14:45:14.304776Z",
"structure_string": "Li95 Mn16 O64\n1.0\n13.418913 0.000000 -0.000001\n0.000000 13.440092 0.000000\n-0.000001 0.000000 9.445450\nLi Mn O\n95 16 64\ndirect\n0.625000 0.125000 0.106219 Li\n0.125001 0.625001 0.108385 Li\n0.625000 0.625001 0.109147 Li\n0.480818 0.016499 0.123407 Li\n0.480818 0.233501 0.123407 Li\n0.769181 0.016499 0.123407 Li\n0.769181 0.233501 0.123407 Li\n0.266785 0.517117 0.124749 Li\n0.266785 0.732883 0.124749 Li\n0.983214 0.517117 0.124749 Li\n0.983214 0.732883 0.124749 Li\n0.482280 0.515920 0.125138 Li\n0.482280 0.734080 0.125138 Li\n0.767719 0.515920 0.125138 Li\n0.767719 0.734080 0.125138 Li\n0.253114 0.024891 0.128458 Li\n0.253114 0.225110 0.128458 Li\n0.996885 0.024891 0.128458 Li\n0.996885 0.225110 0.128458 Li\n0.371241 0.372624 0.141532 Li\n0.371241 0.877377 0.141532 Li\n0.878761 0.372624 0.141532 Li\n0.878761 0.877377 0.141532 Li\n0.125001 0.125001 0.341814 Li\n0.625000 0.125001 0.357159 Li\n0.125001 0.625001 0.358602 Li\n0.625000 0.625001 0.358733 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},
{
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{
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{
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"volume": 2133.7929352544,
"volume_molar": 10.708334507329639,
"formula_full": "Si40 O80",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1001.53170079,
"energy_per_atom": -8.346097506583332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -946.57170079,
"band_gap": 5.957999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0189394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.958000Z",
"spacegroup": 126
}
]
}