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"id": "mp-757651",
"created_at": "2022-09-04T14:40:52.550424Z",
"structure_string": "Li24 Mn8 P16 O64\n1.0\n9.902540 0.000000 0.000000\n0.000000 8.667858 0.000000\n0.000000 7.175311 14.738553\nLi Mn P O\n24 8 16 64\ndirect\n0.400407 0.980802 0.446684 Li\n0.904018 0.605453 0.802414 Li\n0.622581 0.592033 0.724731 Li\n0.078082 0.281362 0.009245 Li\n0.114995 0.039601 0.244658 Li\n0.588556 0.252523 0.000795 Li\n0.088556 0.747477 0.499205 Li\n0.614995 0.960399 0.255342 Li\n0.578082 0.718638 0.490755 Li\n0.122581 0.407967 0.775269 Li\n0.404018 0.394547 0.697586 Li\n0.900407 0.019198 0.053316 Li\n0.099593 0.980802 0.946684 Li\n0.595982 0.605453 0.302414 Li\n0.877419 0.592033 0.224731 Li\n0.421918 0.281362 0.509245 Li\n0.385005 0.039601 0.744658 Li\n0.911444 0.252523 0.500795 Li\n0.411444 0.747477 0.999205 Li\n0.885005 0.960399 0.755342 Li\n0.921918 0.718638 0.990755 Li\n0.377419 0.407967 0.275269 Li\n0.095982 0.394547 0.197586 Li\n0.599593 0.019198 0.553316 Li\n0.857965 0.021767 0.387739 Mn\n0.379076 0.552851 0.864094 Mn\n0.879076 0.447149 0.635906 Mn\n0.357965 0.978233 0.112261 Mn\n0.642035 0.021767 0.887739 Mn\n0.120924 0.552851 0.364094 Mn\n0.620924 0.447149 0.135906 Mn\n0.142035 0.978233 0.612261 Mn\n0.862547 0.258817 0.157833 P\n0.359253 0.783646 0.641460 P\n0.845339 0.827645 0.600113 P\n0.330533 0.361062 0.089185 P\n0.830533 0.638938 0.410815 P\n0.345339 0.172355 0.899887 P\n0.859253 0.216354 0.858540 P\n0.362547 0.741183 0.342167 P\n0.637453 0.258817 0.657833 P\n0.140747 0.783646 0.141460 P\n0.654661 0.827645 0.100113 P\n0.169467 0.361062 0.589185 P\n0.669467 0.638938 0.910815 P\n0.154661 0.172355 0.399887 P\n0.640747 0.216354 0.358540 P\n0.137453 0.741183 0.842167 P\n0.057724 0.019908 0.417931 O\n0.595910 0.585469 0.844771 O\n0.773784 0.765855 0.692194 O\n0.180614 0.321113 0.110858 O\n0.350781 0.511659 0.991832 O\n0.931731 0.136357 0.248435 O\n0.743635 0.887160 0.520703 O\n0.659076 0.055127 0.340867 O\n0.114490 0.552543 0.855696 O\n0.391274 0.610587 0.726723 O\n0.911551 0.217955 0.081271 O\n0.703287 0.228722 0.165611 O\n0.472836 0.816377 0.572898 O\n0.213384 0.770704 0.606080 O\n0.935952 0.680402 0.599613 O\n0.410222 0.201721 0.094561 O\n0.910222 0.798279 0.405439 O\n0.435952 0.319598 0.900387 O\n0.713384 0.229296 0.893920 O\n0.203287 0.771278 0.334389 O\n0.972836 0.183623 0.927102 O\n0.411551 0.782045 0.418729 O\n0.891274 0.389413 0.773277 O\n0.614490 0.447457 0.644304 O\n0.159076 0.944873 0.159133 O\n0.243635 0.112840 0.979297 O\n0.431731 0.863643 0.251565 O\n0.680614 0.678887 0.389142 O\n0.850781 0.488341 0.508168 O\n0.273784 0.234145 0.807806 O\n0.557724 0.980092 0.082069 O\n0.095910 0.414531 0.655229 O\n0.904090 0.585469 0.344771 O\n0.442276 0.019908 0.917931 O\n0.726216 0.765855 0.192194 O\n0.149219 0.511659 0.491832 O\n0.319386 0.321113 0.610858 O\n0.568269 0.136357 0.748435 O\n0.756365 0.887160 0.020703 O\n0.840924 0.055127 0.840867 O\n0.385510 0.552543 0.355696 O\n0.108726 0.610587 0.226723 O\n0.588449 0.217955 0.581271 O\n0.027164 0.816377 0.072898 O\n0.796713 0.228722 0.665611 O\n0.286616 0.770704 0.106080 O\n0.564048 0.680402 0.099613 O\n0.089778 0.201721 0.594561 O\n0.589778 0.798279 0.905439 O\n0.064048 0.319598 0.400387 O\n0.786616 0.229296 0.393920 O\n0.527164 0.183623 0.427102 O\n0.296713 0.771278 0.834389 O\n0.088449 0.782045 0.918729 O\n0.608726 0.389413 0.273277 O\n0.885510 0.447457 0.144304 O\n0.340924 0.944873 0.659133 O\n0.256365 0.112840 0.479297 O\n0.068269 0.863643 0.751565 O\n0.649219 0.488341 0.008168 O\n0.819386 0.678887 0.889142 O\n0.226216 0.234145 0.307806 O\n0.404090 0.414531 0.155229 O\n0.942276 0.980092 0.582069 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7901243453243163,
"density_atomic": 0.08853291867212264,
"volume": 1265.0661661204977,
"volume_molar": 6.802148681331411,
"formula_full": "Li24 Mn8 P16 O64",
"formula_reduced": "Li3Mn(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -810.20545394,
"energy_per_atom": -7.233977267321428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -752.89345394,
"band_gap": 1.1737000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.3062712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.312000Z",
"spacegroup": 14
}
]
}