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{
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{
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{
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{
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{
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"id": "mp-1178061",
"created_at": "2022-09-04T14:42:53.470138Z",
"structure_string": "Li8 Cr12 Co4 O32\n1.0\n8.287301 0.000000 0.000000\n0.008665 8.312775 0.000000\n0.047466 0.034402 8.349311\nLi Cr Co O\n8 12 4 32\ndirect\n0.999238 0.997441 0.000643 Li\n0.751742 0.249924 0.252909 Li\n0.248846 0.747868 0.245600 Li\n0.502273 0.002765 0.500882 Li\n0.000405 0.496355 0.500351 Li\n0.249581 0.252779 0.748033 Li\n0.751221 0.749114 0.749891 Li\n0.497995 0.501726 0.998172 Li\n0.374413 0.123871 0.131419 Cr\n0.119850 0.369214 0.123539 Cr\n0.869240 0.622302 0.120505 Cr\n0.373926 0.376217 0.378542 Cr\n0.624202 0.628370 0.375018 Cr\n0.875218 0.877835 0.372046 Cr\n0.625424 0.378709 0.629622 Cr\n0.880370 0.128604 0.627460 Cr\n0.127926 0.875940 0.621292 Cr\n0.629734 0.123762 0.879879 Cr\n0.377865 0.874651 0.870923 Cr\n0.122623 0.620386 0.870148 Cr\n0.625405 0.877366 0.127854 Co\n0.125873 0.123682 0.375066 Co\n0.374118 0.626310 0.623083 Co\n0.874064 0.373668 0.876744 Co\n0.615931 0.105726 0.119937 O\n0.394630 0.891146 0.113164 O\n0.109732 0.610688 0.109532 O\n0.138032 0.126502 0.143781 O\n0.878753 0.382889 0.104397 O\n0.363605 0.352507 0.134363 O\n0.621984 0.647660 0.142171 O\n0.851490 0.864796 0.134225 O\n0.356987 0.131019 0.361176 O\n0.132340 0.351750 0.363614 O\n0.853396 0.636029 0.366933 O\n0.386870 0.617186 0.390818 O\n0.634112 0.867740 0.357858 O\n0.614696 0.392221 0.388995 O\n0.898698 0.117424 0.387379 O\n0.119525 0.892850 0.387039 O\n0.382929 0.399039 0.616592 O\n0.605066 0.624310 0.609188 O\n0.897629 0.884580 0.615088 O\n0.866319 0.367350 0.648826 O\n0.123326 0.112012 0.606007 O\n0.637362 0.136991 0.643739 O\n0.363371 0.858592 0.630218 O\n0.145951 0.637046 0.626623 O\n0.641031 0.358531 0.871557 O\n0.861025 0.138482 0.867742 O\n0.136358 0.864121 0.852786 O\n0.621984 0.892218 0.894542 O\n0.366499 0.635490 0.850976 O\n0.394874 0.120516 0.894873 O\n0.102175 0.379962 0.883149 O\n0.881633 0.603907 0.883092 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.120240523256837,
"density_atomic": 0.09735948099966239,
"volume": 575.1879470289513,
"volume_molar": 6.185469250828159,
"formula_full": "Li8 Cr12 Co4 O32",
"formula_reduced": "Li2Cr3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -427.685132,
"energy_per_atom": -7.6372345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.161132,
"band_gap": 0.0722,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.050000Z",
"spacegroup": 1
}
]
}