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"updated_at": "2022-09-04T14:37:28.850322Z",
"structure_string": "Co8 O4 F12\n1.0\n0.000000 5.499053 -0.021506\n4.600737 0.000000 0.000000\n0.000000 -1.108969 -10.272060\nCo O F\n8 4 12\ndirect\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.741302 0.534473 0.727444 Co\n0.258698 0.465528 0.272556 Co\n0.258698 0.034472 0.772556 Co\n0.500000 0.000000 0.500000 Co\n0.741302 0.965528 0.227444 Co\n0.000000 0.000000 0.000000 Co\n0.279822 0.282373 0.435037 O\n0.279822 0.217627 0.935037 O\n0.720178 0.782374 0.064964 O\n0.720178 0.717627 0.564964 O\n0.527866 0.201236 0.676285 F\n0.472133 0.798764 0.323715 F\n0.232760 0.804006 0.585821 F\n0.976992 0.796401 0.825846 F\n0.472133 0.701237 0.823715 F\n0.232760 0.695995 0.085821 F\n0.976992 0.703600 0.325846 F\n0.767239 0.304006 0.914180 F\n0.023007 0.296400 0.674154 F\n0.527866 0.298764 0.176285 F\n0.023007 0.203600 0.174154 F\n0.767239 0.195994 0.414180 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.876071837955839,
"density_atomic": 0.09231133977836407,
"volume": 259.9897266968832,
"volume_molar": 6.52372804301067,
"formula_full": "Co8 O4 F12",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3155976912500005,
"spacegroup": 14
}
]
}