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"id": "mp-752979",
"created_at": "2022-09-04T14:47:20.703734Z",
"structure_string": "Co6 O4 F8\n1.0\n3.475444 3.214286 0.000000\n-3.475444 3.214286 0.000000\n0.000000 0.193337 9.229221\nCo O F\n6 4 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.034378 0.034378 0.331038 Co\n0.965622 0.965622 0.668962 Co\n0.501602 0.501602 0.155684 Co\n0.498398 0.498398 0.844316 Co\n0.500000 0.500000 0.500000 Co\n0.697786 0.697786 0.006740 O\n0.683062 0.683062 0.675305 O\n0.302214 0.302214 0.993260 O\n0.316938 0.316938 0.324695 O\n0.198446 0.811595 0.167812 F\n0.188405 0.801554 0.832188 F\n0.193249 0.806751 0.500000 F\n0.719277 0.719277 0.330114 F\n0.280723 0.280723 0.669886 F\n0.811595 0.198446 0.167812 F\n0.801554 0.188405 0.832188 F\n0.806751 0.193249 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.586876237746652,
"density_atomic": 0.08729364981392,
"volume": 206.20056600187758,
"volume_molar": 6.898715740305428,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -110.70019643999998,
"energy_per_atom": -6.1500109133333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.42819644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9954854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.051000Z",
"spacegroup": 12
}
]
}