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{
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{
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{
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"created_at": "2022-09-04T14:39:06.851134Z",
"structure_string": "Co8 O4 F12\n1.0\n3.262369 -3.432344 0.000000\n3.262369 3.432344 0.000000\n0.000000 0.000000 12.236696\nCo O F\n8 4 12\ndirect\n0.959764 0.959764 0.000000 Co\n0.022558 0.022558 0.249469 Co\n0.024170 0.024170 0.500000 Co\n0.022558 0.022558 0.750531 Co\n0.492269 0.492269 0.124877 Co\n0.488736 0.488736 0.625564 Co\n0.488736 0.488736 0.374436 Co\n0.492269 0.492269 0.875123 Co\n0.318547 0.318547 0.248494 O\n0.318547 0.318547 0.751506 O\n0.316533 0.316533 0.500000 O\n0.663394 0.663394 0.000000 O\n0.789808 0.193668 0.125298 F\n0.812991 0.204424 0.621839 F\n0.812991 0.204424 0.378161 F\n0.789808 0.193668 0.874702 F\n0.277676 0.277676 0.000000 F\n0.706166 0.706166 0.251479 F\n0.700126 0.700126 0.500000 F\n0.706166 0.706166 0.748521 F\n0.193668 0.789808 0.125298 F\n0.204424 0.812991 0.621839 F\n0.204424 0.812991 0.378161 F\n0.193668 0.789808 0.874702 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.6260276790462465,
"density_atomic": 0.08757762951326363,
"volume": 274.0425852285166,
"volume_molar": 6.876345927001765,
"formula_full": "Co8 O4 F12",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy": -138.40047687,
"energy_per_atom": -5.76668653625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.00447687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5887572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.043000Z",
"spacegroup": 38
}
]
}