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"id": "mp-757321",
"created_at": "2022-09-04T14:47:29.958510Z",
"structure_string": "Li12 V8 P12 O48\n1.0\n8.791021 0.000000 0.000000\n0.000000 8.561038 0.000000\n0.000000 8.426700 12.072622\nLi V P O\n12 8 12 48\ndirect\n0.913022 0.388848 0.690570 Li\n0.487895 0.719493 0.346413 Li\n0.220404 0.001901 0.177967 Li\n0.720404 0.998099 0.322033 Li\n0.413022 0.611152 0.809430 Li\n0.987895 0.280507 0.153587 Li\n0.012105 0.719493 0.846413 Li\n0.586978 0.388848 0.190570 Li\n0.279596 0.001901 0.677967 Li\n0.779596 0.998099 0.822033 Li\n0.512105 0.280507 0.653587 Li\n0.086978 0.611152 0.309430 Li\n0.971969 0.350181 0.894772 V\n0.471969 0.649819 0.605228 V\n0.034166 0.864343 0.391382 V\n0.534166 0.135657 0.108618 V\n0.465834 0.864343 0.891382 V\n0.965834 0.135657 0.608618 V\n0.528031 0.350181 0.394772 V\n0.028031 0.649819 0.105228 V\n0.751198 0.548263 0.490749 P\n0.617424 0.265483 0.848129 P\n0.889348 0.967496 0.146906 P\n0.117424 0.734517 0.651871 P\n0.389348 0.032504 0.353094 P\n0.251198 0.451737 0.009251 P\n0.748802 0.548263 0.990749 P\n0.610652 0.967496 0.646906 P\n0.882576 0.265483 0.348129 P\n0.110652 0.032504 0.853094 P\n0.382576 0.734517 0.151871 P\n0.248802 0.451737 0.509251 P\n0.127987 0.606532 0.444908 O\n0.110081 0.155017 0.897818 O\n0.333692 0.455686 0.600183 O\n0.421686 0.869251 0.189034 O\n0.639548 0.515412 0.582155 O\n0.793923 0.291450 0.830964 O\n0.579303 0.167674 0.970200 O\n0.006163 0.882486 0.245454 O\n0.730922 0.984317 0.187012 O\n0.822889 0.750719 0.433587 O\n0.528977 0.454917 0.775432 O\n0.028977 0.545083 0.724568 O\n0.949702 0.174620 0.061259 O\n0.449702 0.825380 0.438741 O\n0.322889 0.249281 0.066413 O\n0.230922 0.015683 0.312988 O\n0.079303 0.832326 0.529800 O\n0.506163 0.117514 0.254546 O\n0.293923 0.708550 0.669036 O\n0.139548 0.484588 0.917845 O\n0.833692 0.544314 0.899817 O\n0.610081 0.844983 0.602182 O\n0.921686 0.130749 0.310966 O\n0.627987 0.393468 0.055092 O\n0.372013 0.606532 0.944908 O\n0.078314 0.869251 0.689034 O\n0.389919 0.155017 0.397817 O\n0.166308 0.455686 0.100183 O\n0.860452 0.515412 0.082155 O\n0.706077 0.291450 0.330964 O\n0.493837 0.882486 0.745454 O\n0.920697 0.167674 0.470200 O\n0.769078 0.984317 0.687012 O\n0.677111 0.750719 0.933587 O\n0.550298 0.174620 0.561259 O\n0.050298 0.825380 0.938741 O\n0.971023 0.454917 0.275432 O\n0.471023 0.545083 0.224568 O\n0.177111 0.249281 0.566413 O\n0.269078 0.015683 0.812988 O\n0.993837 0.117514 0.754546 O\n0.420697 0.832326 0.029800 O\n0.206077 0.708550 0.169036 O\n0.360452 0.484588 0.417845 O\n0.578314 0.130749 0.810966 O\n0.666308 0.544314 0.399817 O\n0.889919 0.844983 0.102182 O\n0.872013 0.393468 0.555092 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.979870013821963,
"density_atomic": 0.08804863789730168,
"volume": 908.588729030772,
"volume_molar": 6.839561523966009,
"formula_full": "Li12 V8 P12 O48",
"formula_reduced": "Li3V2(PO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -616.03106341,
"energy_per_atom": -7.700388292625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -569.45506341,
"band_gap": 2.0794,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.909000Z",
"spacegroup": 14
}
]
}