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{
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{
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{
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{
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"structure_string": "U1 Mn5 Al7\n1.0\n-2.475777 4.355195 4.390563\n2.475777 -4.355195 4.390563\n2.475777 4.355195 -4.390563\nU Mn Al\n1 5 7\ndirect\n0.011387 0.000000 0.011387 U\n0.998019 0.986860 0.483026 Mn\n0.998019 0.514993 0.011159 Mn\n0.496166 0.013140 0.011159 Mn\n0.496166 0.485007 0.483026 Mn\n0.225340 0.500000 0.725340 Mn\n0.662190 0.000000 0.662190 Al\n0.348277 0.000000 0.348277 Al\n0.332636 0.344459 0.988178 Al\n0.643719 0.655541 0.988178 Al\n0.777374 0.500000 0.277374 Al\n0.794487 0.289135 0.505353 Al\n0.216218 0.710865 0.505353 Al\n",
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{
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{
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"id": "mp-1100724",
"created_at": "2022-09-04T14:46:31.410849Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.875734 0.000000 0.000000\n0.000000 9.800210 0.000000\n0.000000 1.535185 10.240590\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.265925 0.871856 Li\n0.500000 0.744088 0.622835 Li\n0.500000 0.255912 0.377165 Li\n0.000000 0.270542 0.608366 Li\n0.000000 0.729458 0.391634 Li\n0.000000 0.265132 0.124995 Li\n0.500000 0.734075 0.128144 Li\n0.000000 0.734868 0.875005 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.505809 0.732683 Co\n0.000000 0.494191 0.267317 Co\n0.500000 0.003266 0.246690 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.996734 0.753310 Co\n0.500000 0.115726 0.047263 O\n0.500000 0.603659 0.827526 O\n0.500000 0.113178 0.559820 O\n0.000000 0.099945 0.821820 O\n0.000000 0.621079 0.578845 O\n0.000000 0.115672 0.298060 O\n0.500000 0.621789 0.303809 O\n0.000000 0.608634 0.054484 O\n0.500000 0.378211 0.696191 O\n0.500000 0.886822 0.440180 O\n0.500000 0.396341 0.172474 O\n0.000000 0.378921 0.421155 O\n0.000000 0.900055 0.178180 O\n0.000000 0.391366 0.945516 O\n0.500000 0.884274 0.952737 O\n0.000000 0.884328 0.701940 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.159864667254394,
"density_atomic": 0.11087685672631917,
"volume": 288.608470196685,
"volume_molar": 5.431377600164693,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -206.53629057,
"energy_per_atom": -6.4542590803125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.01829057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.1734084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.822000Z",
"spacegroup": 10
}
]
}