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"energy_uncorrected": -84.29419612,
"band_gap": 0.8511000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001393,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.600000Z",
"spacegroup": 15
},
{
"id": "mp-1026762",
"created_at": "2022-09-04T14:40:29.983191Z",
"structure_string": "La1 Mg14 Ga1\n1.0\n6.581977 0.124286 0.000000\n-3.183353 5.513729 0.000000\n0.000000 0.000000 10.353472\nLa Mg Ga\n1 14 1\ndirect\n0.144247 0.322123 0.125000 La\n0.166239 0.333119 0.625000 Mg\n0.159536 0.829767 0.625000 Mg\n0.640302 0.312685 0.125000 Mg\n0.666658 0.339158 0.625000 Mg\n0.640302 0.827615 0.125000 Mg\n0.666658 0.827498 0.625000 Mg\n0.339297 0.166133 0.382850 Mg\n0.339297 0.166133 0.867150 Mg\n0.339297 0.673165 0.382850 Mg\n0.339297 0.673165 0.867150 Mg\n0.828103 0.164052 0.387981 Mg\n0.828103 0.164052 0.862019 Mg\n0.849159 0.674580 0.356112 Mg\n0.849159 0.674580 0.893888 Mg\n0.204348 0.852174 0.125000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ga"
],
"chemical_system": "Ga-La-Mg",
"density": 2.3996299938818337,
"density_atomic": 0.04212337367256504,
"volume": 379.83662287764014,
"volume_molar": 14.296435054826157,
"formula_full": "La1 Mg14 Ga1",
"formula_reduced": "LaMg14Ga",
"formula_anonymous": "ABC14",
"energy": -30.81403399,
"energy_per_atom": -1.925877124375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81403399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.557000Z",
"spacegroup": 38
}
]
}