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{
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"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.8715612723020434,
"density_atomic": 0.07816318640787974,
"volume": 358.2249046742711,
"volume_molar": 7.70457428459301,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy": -211.27266281,
"energy_per_atom": -7.545452243214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.25666281,
"band_gap": 2.1634,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0008705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.260000Z",
"spacegroup": 33
},
{
"id": "mp-756348",
"created_at": "2022-09-04T14:41:18.567064Z",
"structure_string": "Li8 Fe4 S8\n1.0\n6.382801 0.000000 0.000000\n0.000000 6.712687 0.000000\n0.000000 0.400421 8.109304\nLi Fe S\n8 4 8\ndirect\n0.356011 0.884871 0.728545 Li\n0.143989 0.884871 0.228545 Li\n0.010161 0.530811 0.819190 Li\n0.489839 0.530811 0.319190 Li\n0.510161 0.469189 0.680810 Li\n0.989839 0.469189 0.180810 Li\n0.856011 0.115129 0.771455 Li\n0.643989 0.115129 0.271455 Li\n0.618232 0.650645 0.992498 Fe\n0.881768 0.650645 0.492498 Fe\n0.118232 0.349355 0.507502 Fe\n0.381768 0.349355 0.007502 Fe\n0.733324 0.776149 0.734255 S\n0.766676 0.776149 0.234255 S\n0.260682 0.687750 0.998350 S\n0.239318 0.687750 0.498350 S\n0.760682 0.312250 0.501650 S\n0.739318 0.312250 0.001650 S\n0.233324 0.223851 0.765745 S\n0.266676 0.223851 0.265745 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"S"
],
"chemical_system": "Fe-Li-S",
"density": 2.5589328702302416,
"density_atomic": 0.05756237606267428,
"volume": 347.44917371416136,
"volume_molar": 10.46193915526186,
"formula_full": "Li8 Fe4 S8",
"formula_reduced": "Li2FeS2",
"formula_anonymous": "AB2C2",
"energy": -103.53981766,
"energy_per_atom": -5.176990883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.51581766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9991303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.768000Z",
"spacegroup": 14
}
]
}