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{
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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.115000Z",
"spacegroup": 12
},
{
"id": "mp-1666304",
"created_at": "2022-09-04T14:39:20.674286Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.888151 0.000014 0.000029\n-1.444022 7.727304 0.941966\n0.000196 0.802524 19.591730\nLi Mn Co O\n14 8 2 24\ndirect\n0.666066 0.332079 0.999794 Li\n0.667930 0.335835 0.499383 Li\n0.417601 0.835320 0.126381 Li\n0.421231 0.842326 0.626496 Li\n0.915164 0.830322 0.375527 Li\n0.912644 0.825129 0.873351 Li\n0.240172 0.480312 0.377908 Li\n0.238341 0.476738 0.880381 Li\n0.100934 0.202016 0.119372 Li\n0.095378 0.190505 0.619760 Li\n0.744082 0.488106 0.122467 Li\n0.751552 0.503027 0.623329 Li\n0.585328 0.170496 0.375901 Li\n0.581843 0.163623 0.877144 Li\n0.004360 0.008534 0.998458 Mn\n0.329123 0.658432 0.502316 Mn\n0.830630 0.661818 0.752188 Mn\n0.502818 0.004924 0.747779 Mn\n0.006129 0.011777 0.497658 Mn\n0.328694 0.657337 0.001651 Mn\n0.829115 0.657716 0.254358 Mn\n0.502820 0.007706 0.248429 Mn\n0.166721 0.333293 0.750061 Co\n0.166261 0.332707 0.246471 Co\n0.533814 0.067709 0.055939 O\n0.536988 0.073713 0.554578 O\n0.799074 0.598107 0.445227 O\n0.797656 0.595243 0.944616 O\n0.364761 0.729225 0.310148 O\n0.364812 0.729955 0.810453 O\n0.949850 0.900019 0.199093 O\n0.968878 0.937260 0.689345 O\n0.223348 0.446630 0.057318 O\n0.223645 0.447269 0.557995 O\n0.111305 0.222408 0.441190 O\n0.110020 0.220041 0.942590 O\n0.877355 0.754694 0.053374 O\n0.878916 0.757790 0.553349 O\n0.456390 0.912601 0.446498 O\n0.455430 0.910855 0.946774 O\n0.714978 0.429898 0.307621 O\n0.697570 0.394905 0.808053 O\n0.625630 0.251486 0.184357 O\n0.635951 0.271815 0.692004 O\n0.034408 0.070348 0.307569 O\n0.034183 0.067815 0.806689 O\n0.300793 0.601177 0.195366 O\n0.299309 0.598960 0.693291 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.963887013417013,
"density_atomic": 0.11033015134026317,
"volume": 435.0578642094475,
"volume_molar": 5.458291035446372,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -331.0212444,
"energy_per_atom": -6.896275925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.9132444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.00157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.525000Z",
"spacegroup": 8
}
]
}