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{
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{
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"id": "mp-706277",
"created_at": "2022-09-04T14:45:16.058578Z",
"structure_string": "Li20 Si2 P4 Se24\n1.0\n9.263515 0.000000 0.000000\n0.000000 9.263515 0.000000\n0.000000 0.000000 13.309696\nLi Si P Se\n20 2 4 24\ndirect\n0.232138 0.273945 0.295321 Li\n0.767862 0.726055 0.295321 Li\n0.273945 0.767862 0.795321 Li\n0.726055 0.232138 0.795321 Li\n0.232138 0.726055 0.295321 Li\n0.767862 0.273945 0.295321 Li\n0.273945 0.232138 0.795321 Li\n0.726055 0.767862 0.795321 Li\n0.000000 0.000000 0.941502 Li\n0.000000 0.000000 0.441502 Li\n0.500000 0.500000 0.546514 Li\n0.500000 0.500000 0.046514 Li\n0.259718 0.727320 0.034699 Li\n0.740282 0.272680 0.034699 Li\n0.272680 0.259718 0.534699 Li\n0.727320 0.740282 0.534699 Li\n0.272680 0.740282 0.534699 Li\n0.727320 0.259718 0.534699 Li\n0.259718 0.272680 0.034699 Li\n0.740282 0.727320 0.034699 Li\n0.500000 0.500000 0.801197 Si\n0.500000 0.500000 0.301197 Si\n0.000000 0.000000 0.685685 P\n0.000000 0.000000 0.185685 P\n0.000000 0.500000 0.504125 P\n0.500000 0.000000 0.004125 P\n0.000000 0.699731 0.409098 Se\n0.000000 0.300269 0.409098 Se\n0.300269 0.000000 0.909098 Se\n0.699731 0.000000 0.909098 Se\n0.500000 0.194051 0.101864 Se\n0.500000 0.805949 0.101864 Se\n0.194051 0.500000 0.601864 Se\n0.805949 0.500000 0.601864 Se\n0.000000 0.797324 0.092996 Se\n0.000000 0.202676 0.092996 Se\n0.202676 0.000000 0.592996 Se\n0.797324 0.000000 0.592996 Se\n0.500000 0.293302 0.399828 Se\n0.500000 0.706698 0.399828 Se\n0.293302 0.500000 0.899828 Se\n0.706698 0.500000 0.899828 Se\n0.000000 0.197713 0.779383 Se\n0.000000 0.802287 0.779383 Se\n0.802287 0.000000 0.279383 Se\n0.197713 0.000000 0.279383 Se\n0.500000 0.702173 0.700883 Se\n0.500000 0.297827 0.700883 Se\n0.702173 0.500000 0.200883 Se\n0.297827 0.500000 0.200883 Se\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Li",
"Si",
"P",
"Se"
],
"chemical_system": "Li-P-Se-Si",
"density": 3.2187885903242175,
"density_atomic": 0.04377742877144447,
"volume": 1142.1410851021576,
"volume_molar": 13.756268764528665,
"formula_full": "Li20 Si2 P4 Se24",
"formula_reduced": "Li10Si(PSe6)2",
"formula_anonymous": "AB2C10D12",
"energy": -208.00074842000004,
"energy_per_atom": -4.1600149684000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.67274842,
"band_gap": 1.3277,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.116000Z",
"spacegroup": 105
}
]
}