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"energy_uncorrected": -96.2935123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.1255081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.501000Z",
"spacegroup": 5
},
{
"id": "mp-752574",
"created_at": "2022-09-04T14:47:37.388523Z",
"structure_string": "Co6 O7 F5\n1.0\n3.105824 4.506400 0.000000\n-3.105824 4.506400 0.000000\n0.000000 3.106408 6.834889\nCo O F\n6 7 5\ndirect\n0.696299 0.679307 0.854581 Co\n0.669661 0.658273 0.327803 Co\n0.341727 0.330339 0.672197 Co\n0.320693 0.303701 0.145419 Co\n0.003660 0.996340 0.500000 Co\n0.980213 0.019787 0.000000 Co\n0.964248 0.353737 0.330451 O\n0.646263 0.035752 0.669549 O\n0.216113 0.228451 0.964918 O\n0.771549 0.783887 0.035082 O\n0.361369 0.956937 0.332591 O\n0.043063 0.638631 0.667409 O\n0.682925 0.317075 0.000000 O\n0.573902 0.571365 0.628634 F\n0.896455 0.892523 0.299059 F\n0.428635 0.426098 0.371366 F\n0.107477 0.103545 0.700941 F\n0.295748 0.704252 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.865461803417835,
"density_atomic": 0.09408154996819762,
"volume": 191.32337855918126,
"volume_molar": 6.400979535345309,
"formula_full": "Co6 O7 F5",
"formula_reduced": "Co6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -113.6472358,
"energy_per_atom": -6.313735322222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -96.7002358,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 18.9989494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.199000Z",
"spacegroup": 5
}
]
}