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"created_at": "2022-09-04T14:38:26.478311Z",
"updated_at": "2022-09-04T14:38:26.478332Z",
"structure_string": "Co6 O4 F8\n1.0\n4.484015 -0.000277 -0.000545\n0.000590 9.119183 -0.052996\n0.000569 0.037629 4.488073\nCo O F\n6 4 8\ndirect\n0.032887 0.659001 0.038013 Co\n0.532886 0.507665 0.461985 Co\n-0.000009 0.333329 -0.000028 Co\n0.499992 0.833337 0.500026 Co\n0.967113 0.007663 0.962002 Co\n0.467113 0.159003 0.537992 Co\n0.164993 0.167342 0.807179 O\n0.664995 0.999324 0.692818 O\n0.834999 0.499320 0.192788 O\n0.335000 0.667345 0.307211 O\n0.699614 0.339582 0.692184 F\n0.764060 0.169932 0.216626 F\n0.264058 -0.003266 0.283371 F\n0.735939 0.669944 0.716646 F\n0.235937 0.496722 0.783352 F\n0.800409 0.839584 0.192260 F\n0.300409 0.327081 0.307735 F\n0.199614 0.827083 0.807816 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.153506242565723,
"density_atomic": 0.0980772852666688,
"volume": 183.52873400868114,
"volume_molar": 6.140199276138205,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6758878700000002,
"spacegroup": 14
}
]
}