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{
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"id": "mp-756331",
"created_at": "2022-09-04T14:43:22.752344Z",
"structure_string": "Li4 Ti3 Co5 O16\n1.0\n2.902018 4.937116 0.000000\n-2.902018 4.937116 0.000000\n0.000000 0.059036 9.309858\nLi Ti Co O\n4 3 5 16\ndirect\n0.671100 0.671100 0.888427 Li\n0.987985 0.987985 0.994689 Li\n0.993914 0.993914 0.499110 Li\n0.337168 0.337168 0.395715 Li\n0.832908 0.339138 0.212011 Ti\n0.339138 0.832908 0.212011 Ti\n0.170483 0.170483 0.712701 Ti\n0.667174 0.667174 0.484777 Co\n0.826596 0.826596 0.214071 Co\n0.336319 0.336319 0.979143 Co\n0.661870 0.166971 0.708931 Co\n0.166971 0.661870 0.708931 Co\n0.828654 0.335882 0.602833 O\n0.524189 0.524189 0.345268 O\n0.665303 0.665303 0.097757 O\n0.995341 0.995341 0.310692 O\n0.994201 0.994201 0.807239 O\n0.335882 0.828654 0.602833 O\n0.958268 0.526540 0.346799 O\n0.526540 0.958268 0.346799 O\n0.170811 0.170811 0.100815 O\n0.833289 0.833289 0.608329 O\n0.484660 0.044923 0.843195 O\n0.044923 0.484660 0.843195 O\n0.337415 0.337415 0.601996 O\n0.664908 0.171593 0.102505 O\n0.479519 0.479519 0.833144 O\n0.171593 0.664908 0.102505 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.49420280573662,
"density_atomic": 0.10495703308861234,
"volume": 266.7758336533805,
"volume_molar": 5.737720077239295,
"formula_full": "Li4 Ti3 Co5 O16",
"formula_reduced": "Li4Ti3Co5O16",
"formula_anonymous": "A3B4C5D16",
"energy": -204.67372119,
"energy_per_atom": -7.309775756785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.49172119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.8415211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.329000Z",
"spacegroup": 8
}
]
}