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"id": "mp-1202801",
"created_at": "2022-09-04T14:41:36.701337Z",
"structure_string": "Li20 P20 O60\n1.0\n5.521558 0.000000 0.000000\n0.000000 13.312980 0.000000\n0.000000 10.635230 16.540545\nLi P O\n20 20 60\ndirect\n0.505393 0.873522 0.181780 Li\n0.494607 0.873522 0.681780 Li\n0.515581 0.111170 0.065996 Li\n0.484419 0.111170 0.565996 Li\n0.494216 0.347043 0.950543 Li\n0.505784 0.347043 0.450543 Li\n0.492776 0.581703 0.835452 Li\n0.507224 0.581703 0.335452 Li\n0.007217 0.729106 0.758434 Li\n0.992783 0.729106 0.258434 Li\n0.478806 0.375737 0.681714 Li\n0.521194 0.375737 0.181714 Li\n0.523687 0.612275 0.566270 Li\n0.476313 0.612275 0.066270 Li\n0.466750 0.848182 0.449547 Li\n0.533250 0.848182 0.949547 Li\n0.522263 0.084520 0.332984 Li\n0.477737 0.084520 0.832984 Li\n0.039111 0.233171 0.256366 Li\n0.960889 0.233171 0.756366 Li\n0.814623 0.999221 0.999587 P\n0.185377 0.999221 0.499587 P\n0.156683 0.205613 0.906720 P\n0.843317 0.205613 0.406720 P\n0.811556 0.401137 0.802939 P\n0.188444 0.401137 0.302939 P\n0.171023 0.591605 0.691689 P\n0.828977 0.591605 0.191689 P\n0.840261 0.791599 0.591751 P\n0.159739 0.791599 0.091751 P\n0.156070 0.665080 0.425433 P\n0.843930 0.665080 0.925433 P\n0.825678 0.865452 0.325562 P\n0.174322 0.865452 0.825562 P\n0.187722 0.056323 0.213545 P\n0.812278 0.056323 0.713545 P\n0.848099 0.252134 0.110144 P\n0.151901 0.252134 0.610144 P\n0.190133 0.458420 0.017155 P\n0.809867 0.458420 0.517155 P\n0.931000 0.129985 0.964587 O\n0.069000 0.129985 0.464587 O\n0.048913 0.340179 0.859372 O\n0.951087 0.340179 0.359372 O\n0.919982 0.518650 0.724144 O\n0.080018 0.518650 0.224144 O\n0.073319 0.706904 0.607741 O\n0.926681 0.706904 0.107741 O\n0.057978 0.919848 0.021852 O\n0.942022 0.919848 0.521852 O\n0.923219 0.749936 0.409378 O\n0.076781 0.749936 0.909378 O\n0.078159 0.936774 0.290596 O\n0.921841 0.936774 0.790596 O\n0.950735 0.116799 0.156445 O\n0.049265 0.116799 0.656445 O\n0.081213 0.325432 0.056520 O\n0.918787 0.325432 0.556520 O\n0.055309 0.536371 0.495673 O\n0.944691 0.536371 0.995673 O\n0.677205 0.970827 0.073889 O\n0.322795 0.970827 0.573889 O\n0.686082 0.994909 0.933926 O\n0.313918 0.994909 0.433926 O\n0.356424 0.204625 0.958651 O\n0.643576 0.204625 0.458651 O\n0.204695 0.171056 0.846743 O\n0.795305 0.171056 0.346743 O\n0.648026 0.439658 0.845353 O\n0.351974 0.439658 0.345353 O\n0.718219 0.322583 0.775410 O\n0.281781 0.322583 0.275410 O\n0.248454 0.630670 0.747295 O\n0.751546 0.630670 0.247295 O\n0.343710 0.527520 0.669352 O\n0.656290 0.527520 0.169352 O\n0.784879 0.790584 0.667159 O\n0.215121 0.790584 0.167159 O\n0.644223 0.761105 0.553292 O\n0.355777 0.761105 0.053292 O\n0.350110 0.697609 0.463335 O\n0.649890 0.697609 0.963335 O\n0.214004 0.665087 0.350606 O\n0.785996 0.665087 0.850606 O\n0.659207 0.931406 0.348215 O\n0.340793 0.931406 0.848215 O\n0.741956 0.824688 0.271458 O\n0.258044 0.824688 0.771458 O\n0.274266 0.135280 0.241625 O\n0.725734 0.135280 0.741625 O\n0.357050 0.019880 0.171199 O\n0.642950 0.019880 0.671199 O\n0.794728 0.286380 0.170027 O\n0.205272 0.286380 0.670027 O\n0.652705 0.257004 0.055640 O\n0.347295 0.257004 0.555640 O\n0.322530 0.467181 0.080441 O\n0.677470 0.467181 0.580441 O\n0.321086 0.484690 0.942366 O\n0.678914 0.484690 0.442366 O\n",
"nsites": 100,
"nelements": 3,
"elements": [
"Li",
"P",
"O"
],
"chemical_system": "Li-O-P",
"density": 2.3466647638546436,
"density_atomic": 0.08224571240686895,
"volume": 1215.86885289899,
"volume_molar": 7.322133377857453,
"formula_full": "Li20 P20 O60",
"formula_reduced": "LiPO3",
"formula_anonymous": "ABC3",
"energy": -714.34945607,
"energy_per_atom": -7.1434945607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -673.12945607,
"band_gap": 5.5832,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.511000Z",
"spacegroup": 7
}
]
}