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"structure_string": "Co6 O2 F10\n1.0\n4.719153 0.000000 0.000000\n0.171144 5.692148 0.000000\n0.202518 0.358407 7.894557\nCo O F\n6 2 10\ndirect\n0.500000 0.500000 0.000000 Co\n0.484293 0.179687 0.336991 Co\n0.515707 0.820313 0.663009 Co\n0.971408 0.349588 0.676834 Co\n0.028592 0.650412 0.323166 Co\n0.000000 0.000000 0.000000 Co\n0.701194 0.531377 0.769983 O\n0.298806 0.468623 0.230017 O\n0.806309 0.369510 0.436055 F\n0.805886 0.036064 0.763992 F\n0.804361 0.704088 0.105059 F\n0.695364 0.200917 0.103538 F\n0.705709 0.864192 0.427124 F\n0.294291 0.135808 0.572876 F\n0.304636 0.799083 0.896462 F\n0.194114 0.963936 0.236008 F\n0.195639 0.295912 0.894941 F\n0.193691 0.630490 0.563945 F\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-F-O",
"density": 4.507007665667388,
"density_atomic": 0.08487982958363907,
"volume": 212.06451624956577,
"volume_molar": 7.094902039201068,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -93.3625524,
"band_gap": 0.9136,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.584000Z",
"spacegroup": 2
},
{
"id": "mp-780865",
"created_at": "2022-09-04T14:42:28.538952Z",
"structure_string": "Co6 O2 F10\n1.0\n4.743672 0.000000 0.000000\n0.000000 5.698007 0.000000\n0.000000 0.390009 7.901995\nCo O F\n6 2 10\ndirect\n0.514720 0.745336 0.986406 Co\n0.516158 0.072664 0.670638 Co\n0.470465 0.403371 0.329508 Co\n0.016158 0.927336 0.329362 Co\n0.970465 0.596629 0.670492 Co\n0.014720 0.254664 0.013594 Co\n0.199012 0.217572 0.238714 O\n0.699012 0.782428 0.761286 O\n0.197484 0.875552 0.562232 F\n0.195739 0.547068 0.896189 F\n0.308078 0.712016 0.225516 F\n0.298975 0.045802 0.896955 F\n0.299370 0.384834 0.575098 F\n0.697484 0.124448 0.437768 F\n0.695739 0.452932 0.103811 F\n0.808078 0.287984 0.774484 F\n0.798975 0.954198 0.103045 F\n0.799370 0.615166 0.424902 F\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-F-O",
"density": 4.4748854413351635,
"density_atomic": 0.08427487633540381,
"volume": 213.5867862726037,
"volume_molar": 7.145831618942529,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
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"updated_at": "2021-11-28T01:35:48.724000Z",
"spacegroup": 4
}
]
}