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{
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"id": "mp-1174390",
"created_at": "2022-09-04T14:46:58.609232Z",
"structure_string": "Li8 Co6 O14\n1.0\n1.470335 10.610703 0.000000\n-1.470335 10.610703 0.000000\n0.000000 1.673347 7.979737\nLi Co O\n8 6 14\ndirect\n0.500000 0.500000 0.500000 Li\n0.357738 0.357738 0.074993 Li\n0.213919 0.213919 0.646703 Li\n0.069261 0.069261 0.203066 Li\n0.930739 0.930739 0.796934 Li\n0.786081 0.786081 0.353297 Li\n0.642262 0.642262 0.925007 Li\n0.500000 0.500000 0.000000 Li\n0.069627 0.069627 0.726833 Co\n0.930373 0.930373 0.273167 Co\n0.788751 0.788751 0.861279 Co\n0.642589 0.642589 0.427934 Co\n0.357411 0.357411 0.572066 Co\n0.211249 0.211249 0.138721 Co\n0.505987 0.505987 0.745883 O\n0.362031 0.362031 0.323479 O\n0.217838 0.217838 0.899699 O\n0.074713 0.074713 0.485346 O\n0.928155 0.928155 0.061394 O\n0.789191 0.789191 0.617569 O\n0.642949 0.642949 0.180297 O\n0.494013 0.494013 0.254117 O\n0.357051 0.357051 0.819703 O\n0.210809 0.210809 0.382431 O\n0.071845 0.071845 0.938606 O\n0.925287 0.925287 0.514654 O\n0.782162 0.782162 0.100301 O\n0.637969 0.637969 0.676521 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.222360005319785,
"density_atomic": 0.11245506058935602,
"volume": 248.98835013077417,
"volume_molar": 5.355153186027451,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy": -174.26546089,
"energy_per_atom": -6.223766460357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.81946089,
"band_gap": 0.2875999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.757000Z",
"spacegroup": 12
}
]
}