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{
"id": "mp-757562",
"created_at": "2022-09-04T14:42:50.119575Z",
"structure_string": "Li4 P16 W4 O48\n1.0\n4.865251 -5.841702 0.000000\n4.865251 5.841702 0.000000\n0.000000 0.000000 18.255999\nLi P W O\n4 16 4 48\ndirect\n0.194937 0.101483 0.644842 Li\n0.898517 0.805063 0.855158 Li\n0.805063 0.898517 0.144842 Li\n0.101483 0.194937 0.355158 Li\n0.046391 0.758857 0.345021 P\n0.241143 0.953609 0.154979 P\n0.293495 0.777546 0.012779 P\n0.222454 0.706505 0.487221 P\n0.371134 0.628866 0.750000 P\n0.671582 0.744339 0.307832 P\n0.255661 0.328418 0.192168 P\n0.358990 0.358990 0.500000 P\n0.641010 0.641010 0.000000 P\n0.744339 0.671582 0.692168 P\n0.328418 0.255661 0.807832 P\n0.628866 0.371134 0.250000 P\n0.777546 0.293495 0.987221 P\n0.706505 0.222454 0.512779 P\n0.758857 0.046391 0.654979 P\n0.953609 0.241143 0.845021 P\n0.564895 0.960861 0.881372 W\n0.039139 0.435105 0.618628 W\n0.435105 0.039139 0.381372 W\n0.960861 0.564895 0.118628 W\n0.151948 0.949896 0.351942 O\n0.050104 0.848052 0.148058 O\n0.061660 0.645120 0.281542 O\n0.354880 0.938340 0.218458 O\n0.109543 0.668149 0.021280 O\n0.331851 0.890457 0.478720 O\n0.091642 0.651338 0.419846 O\n0.348662 0.908358 0.080154 O\n0.121978 0.679555 0.558426 O\n0.320445 0.878022 0.941574 O\n0.407555 0.795821 0.795527 O\n0.204179 0.592445 0.704473 O\n0.523208 0.802026 0.351106 O\n0.197974 0.476792 0.148894 O\n0.358986 0.563644 0.482153 O\n0.436356 0.641014 0.017847 O\n0.780788 0.842622 0.636709 O\n0.157378 0.219212 0.863291 O\n0.528919 0.618448 0.692056 O\n0.381552 0.471081 0.807944 O\n0.250368 0.304872 0.568742 O\n0.695128 0.749632 0.931258 O\n0.718231 0.817512 0.234028 O\n0.182488 0.281769 0.265972 O\n0.281769 0.182488 0.734028 O\n0.817512 0.718231 0.765972 O\n0.304872 0.250368 0.431258 O\n0.749632 0.695128 0.068742 O\n0.618448 0.528919 0.307944 O\n0.471081 0.381552 0.192056 O\n0.219212 0.157378 0.136709 O\n0.842622 0.780788 0.363291 O\n0.641014 0.436356 0.982153 O\n0.563644 0.358986 0.517847 O\n0.476792 0.197974 0.851106 O\n0.802026 0.523208 0.648894 O\n0.795821 0.407555 0.204473 O\n0.592445 0.204179 0.295527 O\n0.679555 0.121978 0.441574 O\n0.878022 0.320445 0.058426 O\n0.651338 0.091642 0.580154 O\n0.908358 0.348662 0.919846 O\n0.890457 0.331851 0.521280 O\n0.668149 0.109543 0.978720 O\n0.645120 0.061660 0.718458 O\n0.938340 0.354880 0.781542 O\n0.949896 0.151948 0.648058 O\n0.848052 0.050104 0.851942 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 3.243045512032359,
"density_atomic": 0.0693828680549347,
"volume": 1037.7201464631464,
"volume_molar": 8.679578877067895,
"formula_full": "Li4 P16 W4 O48",
"formula_reduced": "LiP4WO12",
"formula_anonymous": "ABC4D12",
"energy": -562.0611316,
"energy_per_atom": -7.806404605555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.3331316,
"band_gap": 3.847,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0002179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.927000Z",
"spacegroup": 20
}
]
}