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"volume_molar": 10.358945473061858,
"formula_full": "Li10 Nb14 S28",
"formula_reduced": "Li5(NbS2)7",
"formula_anonymous": "A5B7C14",
"energy": -356.58360142,
"energy_per_atom": -6.857376950384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -342.49960142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.334000Z",
"spacegroup": 15
},
{
"id": "mp-4034",
"created_at": "2022-09-04T14:44:28.554360Z",
"structure_string": "La2 Te4 Se2\n1.0\n2.166371 -13.361604 0.000000\n2.166371 13.361604 0.000000\n0.000000 0.000000 4.346316\nLa Te Se\n2 4 2\ndirect\n0.180417 0.819583 0.750000 La\n0.819583 0.180417 0.250000 La\n0.579484 0.420516 0.750000 Te\n0.420516 0.579484 0.250000 Te\n0.079505 0.920495 0.250000 Te\n0.920495 0.079505 0.750000 Te\n0.705110 0.294890 0.250000 Se\n0.294890 0.705110 0.750000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Te",
"Se"
],
"chemical_system": "La-Se-Te",
"density": 6.243924144038674,
"density_atomic": 0.031794153230552034,
"volume": 251.61858980765496,
"volume_molar": 18.94103207067999,
"formula_full": "La2 Te4 Se2",
"formula_reduced": "LaTe2Se",
"formula_anonymous": "ABC2",
"energy": -42.08925047,
"energy_per_atom": -5.26115630875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.45725047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001633,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.743000Z",
"spacegroup": 63
}
]
}