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{
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"id": "mp-766682",
"created_at": "2022-09-04T14:47:15.852997Z",
"structure_string": "Li6 V8 P12 O48\n1.0\n8.426687 0.000000 0.000000\n-0.023377 8.719976 0.000000\n-0.134422 -0.042346 11.957895\nLi V P O\n6 8 12 48\ndirect\n0.809803 0.214199 0.820497 Li\n0.683137 0.712554 0.680183 Li\n0.570013 0.407924 0.195521 Li\n0.184915 0.786624 0.179961 Li\n0.083449 0.087706 0.690413 Li\n0.076313 0.504342 0.343767 Li\n0.747498 0.974386 0.111392 V\n0.751001 0.533664 0.890021 V\n0.744795 0.474957 0.394291 V\n0.742004 0.032463 0.606113 V\n0.252353 0.969786 0.387270 V\n0.245182 0.527452 0.614989 V\n0.246294 0.465014 0.112156 V\n0.257366 0.026102 0.891768 V\n0.968852 0.751592 0.507753 P\n0.883592 0.618478 0.149207 P\n0.885196 0.892800 0.854454 P\n0.608607 0.114483 0.345635 P\n0.613281 0.391153 0.647411 P\n0.537256 0.249836 0.991210 P\n0.463901 0.751320 0.007636 P\n0.385961 0.612904 0.358634 P\n0.391244 0.881107 0.647190 P\n0.112946 0.109627 0.145277 P\n0.108441 0.382276 0.848545 P\n0.038598 0.247768 0.491817 P\n0.935160 0.099143 0.108578 O\n0.941615 0.129957 0.559642 O\n0.945625 0.333042 0.400981 O\n0.930138 0.414758 0.822437 O\n0.911866 0.637509 0.417906 O\n0.871712 0.793631 0.156661 O\n0.858150 0.569224 0.023215 O\n0.865972 0.006557 0.751907 O\n0.830431 0.731043 0.816995 O\n0.821811 0.823896 0.566701 O\n0.765394 0.528173 0.220494 O\n0.777662 0.955274 0.946664 O\n0.722015 0.021529 0.272863 O\n0.724010 0.449460 0.556069 O\n0.680273 0.323333 0.929353 O\n0.663625 0.227300 0.682973 O\n0.650805 0.075837 0.472776 O\n0.624520 0.289407 0.332391 O\n0.639736 0.504350 0.748405 O\n0.606773 0.141866 0.080917 O\n0.568747 0.836984 0.096154 O\n0.569087 0.917297 0.675404 O\n0.556977 0.619630 0.399645 O\n0.562939 0.629755 0.947573 O\n0.450436 0.372379 0.058024 O\n0.436583 0.399076 0.611741 O\n0.436060 0.067046 0.323947 O\n0.430632 0.169728 0.901746 O\n0.397231 0.860518 0.916684 O\n0.372463 0.506476 0.254619 O\n0.377729 0.705949 0.661367 O\n0.360827 0.929334 0.526010 O\n0.320730 0.773836 0.322061 O\n0.320708 0.679980 0.067909 O\n0.267042 0.550832 0.446847 O\n0.278836 0.974117 0.724325 O\n0.220844 0.052186 0.048918 O\n0.217145 0.475831 0.770963 O\n0.178179 0.161499 0.436865 O\n0.156754 0.273398 0.179026 O\n0.137813 0.993288 0.241633 O\n0.144348 0.423406 0.969470 O\n0.126118 0.204253 0.829916 O\n0.110205 0.353653 0.583246 O\n0.056991 0.581528 0.185601 O\n0.069498 0.668067 0.600306 O\n0.064803 0.875959 0.449638 O\n0.062749 0.897852 0.887922 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.0026231472821983,
"density_atomic": 0.0842179821600594,
"volume": 878.6722039879827,
"volume_molar": 7.150659046371709,
"formula_full": "Li6 V8 P12 O48",
"formula_reduced": "Li3V4(PO4)6",
"formula_anonymous": "A3B4C6D24",
"energy": -583.7427466500001,
"energy_per_atom": -7.888415495270271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -537.16674665,
"band_gap": 0.7901000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.293000Z",
"spacegroup": 1
}
]
}