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"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.364000Z",
"spacegroup": 221
},
{
"id": "mp-23038",
"created_at": "2022-09-04T14:48:03.905836Z",
"structure_string": "Cs2 V2 Br6\n1.0\n3.865717 -6.695619 0.000000\n3.865717 6.695619 0.000000\n0.000000 0.000000 6.574832\nCs V Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.155615 0.844385 0.250000 Br\n0.844385 0.688770 0.750000 Br\n0.155615 0.311230 0.250000 Br\n0.844385 0.155615 0.750000 Br\n0.311230 0.155615 0.750000 Br\n0.688770 0.844385 0.250000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"V",
"Br"
],
"chemical_system": "Br-Cs-V",
"density": 4.13292488312573,
"density_atomic": 0.029380863388252732,
"volume": 340.35759493705933,
"volume_molar": 20.496813454460344,
"formula_full": "Cs2 V2 Br6",
"formula_reduced": "CsVBr3",
"formula_anonymous": "ABC3",
"energy": -45.63302375,
"energy_per_atom": -4.563302375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.42902375,
"band_gap": 0.6528,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9993822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.781000Z",
"spacegroup": 194
}
]
}