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{
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{
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{
"id": "mp-1198198",
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{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.70482625,
"band_gap": 0.9965,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.999477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.039000Z",
"spacegroup": 14
},
{
"id": "mp-1224842",
"created_at": "2022-09-04T14:39:29.284515Z",
"structure_string": "Ga2 Sn2 Se4\n1.0\n3.913727 0.000000 0.000000\n0.000000 4.571749 0.000000\n0.000000 0.000000 11.296786\nGa Sn Se\n2 2 4\ndirect\n0.000000 0.121723 0.623294 Ga\n0.000000 0.878277 0.123294 Ga\n0.500000 0.341930 0.393346 Sn\n0.500000 0.658070 0.893346 Sn\n0.000000 0.237320 0.843937 Se\n0.000000 0.762680 0.343937 Se\n0.500000 0.243156 0.139423 Se\n0.500000 0.756844 0.639423 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Sn",
"Se"
],
"chemical_system": "Ga-Se-Sn",
"density": 5.690759578827929,
"density_atomic": 0.039578759504740275,
"volume": 202.12861898922966,
"volume_molar": 15.215587439719375,
"formula_full": "Ga2 Sn2 Se4",
"formula_reduced": "GaSnSe2",
"formula_anonymous": "ABC2",
"energy": -32.3514049,
"energy_per_atom": -4.0439256125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.4634049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.954000Z",
"spacegroup": 26
}
]
}