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{
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{
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"id": "mp-1175921",
"created_at": "2022-09-04T14:44:56.202892Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.892086 0.000000 0.000000\n0.381449 5.916885 0.000000\n0.302208 2.820513 8.133509\nLi Mn Co O\n9 2 5 16\ndirect\n0.746897 0.878955 0.742448 Li\n0.007479 0.755052 0.502441 Li\n0.749096 0.378995 0.742588 Li\n0.006950 0.238807 0.509398 Li\n0.254786 0.120505 0.257682 Li\n0.250664 0.621094 0.255284 Li\n0.495609 0.507775 0.992586 Li\n0.495883 0.998210 0.995966 Li\n0.249863 0.876059 0.743393 Li\n0.004162 0.003720 0.998999 Mn\n0.004803 0.505936 0.000162 Mn\n0.494788 0.748499 0.498330 Co\n0.746501 0.625640 0.249460 Co\n0.252605 0.375564 0.749528 Co\n0.493410 0.240419 0.503674 Co\n0.751572 0.126932 0.254580 Co\n0.026037 0.145182 0.762862 O\n0.267780 0.980017 0.500020 O\n0.010695 0.601450 0.764100 O\n0.254545 0.470612 0.514847 O\n0.513418 0.353582 0.265020 O\n0.514533 0.861285 0.254629 O\n0.751662 0.731000 0.005658 O\n0.778903 0.259931 0.012456 O\n0.470489 0.601709 0.733694 O\n0.733160 0.521104 0.485108 O\n0.486055 0.144679 0.740117 O\n0.742850 0.017578 0.493429 O\n0.986421 0.897364 0.239944 O\n0.988930 0.396297 0.240141 O\n0.251092 0.277442 0.989398 O\n0.218363 0.738610 0.002056 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.23397332586526,
"density_atomic": 0.11285214577542187,
"volume": 283.55685911086414,
"volume_molar": 5.3363103719659755,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.2410658,
"energy_per_atom": -6.50753330625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.7230658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.617000Z",
"spacegroup": 1
}
]
}