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{
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},
{
"id": "mp-756874",
"created_at": "2022-09-04T14:40:21.112927Z",
"structure_string": "Co6 O4 F8\n1.0\n4.667532 0.000000 0.000000\n0.115545 5.616758 0.000000\n0.212216 0.423777 7.617526\nCo O F\n6 4 8\ndirect\n0.486302 0.508360 0.005481 Co\n0.493233 0.164894 0.335825 Co\n0.538257 0.824089 0.665973 Co\n0.970671 0.330843 0.674739 Co\n0.006154 0.671417 0.338227 Co\n0.973891 0.996638 0.977785 Co\n0.791348 0.019622 0.762447 O\n0.684522 0.547467 0.773446 O\n0.713070 0.849856 0.445784 O\n0.302223 0.479271 0.228556 O\n0.818086 0.359317 0.432296 F\n0.799093 0.711283 0.101205 F\n0.699485 0.211925 0.097541 F\n0.311166 0.113617 0.578681 F\n0.311380 0.811139 0.887800 F\n0.189130 0.970678 0.217598 F\n0.185251 0.297460 0.904515 F\n0.226738 0.632123 0.572102 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.7360896370227925,
"density_atomic": 0.09013335630453047,
"volume": 199.70409111565777,
"volume_molar": 6.68136748359087,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -109.9541302,
"energy_per_atom": -6.1085627888888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.68213020000002,
"band_gap": 0.0430000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0007327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.227000Z",
"spacegroup": 1
}
]
}