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{
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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": -108.63096621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.322000Z",
"spacegroup": 99
},
{
"id": "mp-29345",
"created_at": "2022-09-04T14:47:23.590498Z",
"structure_string": "Li4 Ga4 I12\n1.0\n11.576869 0.000000 0.000000\n0.000000 7.284927 0.000000\n0.000000 0.334584 8.609656\nLi Ga I\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.250000 0.033742 0.970109 Ga\n0.750000 0.866791 0.758898 Ga\n0.750000 0.966258 0.029891 Ga\n0.250000 0.133209 0.241102 Ga\n0.750000 0.324544 0.065822 I\n0.569698 0.665065 0.682860 I\n0.069698 0.334935 0.317140 I\n0.430302 0.334935 0.317140 I\n0.069922 0.178009 0.816377 I\n0.569922 0.821991 0.183623 I\n0.930078 0.821991 0.183623 I\n0.430078 0.178009 0.816377 I\n0.250000 0.675456 0.934178 I\n0.750000 0.137228 0.546223 I\n0.250000 0.862772 0.453777 I\n0.930302 0.665065 0.682860 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Ga",
"I"
],
"chemical_system": "Ga-I-Li",
"density": 4.183903671721733,
"density_atomic": 0.02754405475130082,
"volume": 726.109506410107,
"volume_molar": 21.863668273878936,
"formula_full": "Li4 Ga4 I12",
"formula_reduced": "LiGaI3",
"formula_anonymous": "ABC3",
"energy": -58.17165243,
"energy_per_atom": -2.9085826215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.62365243,
"band_gap": 2.2473,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.035000Z",
"spacegroup": 11
}
]
}