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{
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{
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"updated_at": "2021-11-28T01:35:47.575000Z",
"spacegroup": 1
},
{
"id": "mp-753006",
"created_at": "2022-09-04T14:41:36.652276Z",
"structure_string": "Mn6 O6 F6\n1.0\n3.075228 0.000000 0.000000\n0.000000 4.812542 0.000000\n0.000000 0.986450 14.228263\nMn O F\n6 6 6\ndirect\n0.000000 0.092992 0.835253 Mn\n0.000000 0.907008 0.164747 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.454937 0.333428 Mn\n0.500000 0.545063 0.666572 Mn\n0.500000 0.751787 0.103281 O\n0.000000 0.720402 0.600556 O\n0.000000 0.636807 0.267653 O\n0.000000 0.279598 0.399444 O\n0.000000 0.363193 0.732347 O\n0.500000 0.248213 0.896719 O\n0.500000 0.800677 0.435981 F\n0.500000 0.878764 0.775298 F\n0.000000 0.741868 0.935912 F\n0.000000 0.258132 0.064088 F\n0.500000 0.121236 0.224702 F\n0.500000 0.199323 0.564019 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.255292770532963,
"density_atomic": 0.08548083737764424,
"volume": 210.57351041705553,
"volume_molar": 7.045018444771304,
"formula_full": "Mn6 O6 F6",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy": -138.14311127000002,
"energy_per_atom": -7.6746172927777785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.24111127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0015716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.465000Z",
"spacegroup": 10
}
]
}