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"id": "mp-1080570",
"created_at": "2022-09-04T14:39:44.461517Z",
"structure_string": "Cs2 Ni2 Br6\n1.0\n3.847954 -6.664852 0.000000\n3.847954 6.664852 0.000000\n0.000000 0.000000 6.336364\nCs Ni Br\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.152222 0.847778 0.250000 Br\n0.152222 0.304444 0.250000 Br\n0.695556 0.847778 0.250000 Br\n0.847778 0.152222 0.750000 Br\n0.847778 0.695556 0.750000 Br\n0.304444 0.152222 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ni",
"Br"
],
"chemical_system": "Br-Cs-Ni",
"density": 4.407364642748335,
"density_atomic": 0.030768725330615615,
"volume": 325.00533878307147,
"volume_molar": 19.572278979031434,
"formula_full": "Cs2 Ni2 Br6",
"formula_reduced": "CsNiBr3",
"formula_anonymous": "ABC3",
"energy": -36.1588556,
"energy_per_atom": -3.61588556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.9548556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0002982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.013000Z",
"spacegroup": 194
}
]
}