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{
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"id": "mp-1176193",
"created_at": "2022-09-04T14:39:26.399209Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.971720 0.000000 0.000000\n-0.417705 5.941421 0.000000\n-0.276657 -0.203645 16.172466\nLi Mn Co O\n9 2 5 16\ndirect\n0.002634 0.497825 0.998566 Li\n0.498717 0.742415 0.132663 Li\n0.994529 0.011517 0.254937 Li\n0.497975 0.252471 0.872401 Li\n0.999813 0.000278 0.748861 Li\n0.500441 0.750317 0.623940 Li\n0.002040 0.499462 0.498954 Li\n0.501532 0.257110 0.370436 Li\n0.011683 0.490071 0.254524 Li\n0.991902 0.999970 0.998119 Mn\n0.494709 0.257973 0.130335 Mn\n0.506384 0.742216 0.370718 Co\n0.999487 0.001513 0.499141 Co\n0.500303 0.248832 0.624288 Co\n0.999214 0.499075 0.748568 Co\n0.500788 0.746515 0.873320 Co\n0.525453 0.755555 0.994565 O\n0.969838 0.027976 0.121718 O\n0.505196 0.248021 0.242271 O\n0.026844 0.511029 0.867834 O\n0.526548 0.261786 0.743217 O\n0.028864 0.009489 0.618521 O\n0.528273 0.764711 0.490735 O\n0.031684 0.520907 0.376793 O\n0.463513 0.241295 0.004956 O\n0.020964 0.471488 0.125935 O\n0.499622 0.755015 0.263030 O\n0.972087 0.985944 0.876925 O\n0.473159 0.735963 0.755081 O\n0.973323 0.488077 0.630178 O\n0.476015 0.237118 0.506519 O\n0.976467 0.988066 0.381950 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.204494744352381,
"density_atomic": 0.11206642491180158,
"volume": 285.5449348472088,
"volume_molar": 5.373724346734127,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.86597704,
"energy_per_atom": -6.4958117825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.34797704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.5282229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.441000Z",
"spacegroup": 1
}
]
}