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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.828000Z",
"spacegroup": 225
},
{
"id": "mp-1113807",
"created_at": "2022-09-04T14:46:52.705234Z",
"structure_string": "Rb2 In1 Cu1 F6\n1.0\n0.000000 4.378657 4.378657\n4.378657 0.000000 4.378657\n4.378657 4.378657 0.000000\nRb In Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.755875 0.244125 0.244125 F\n0.244125 0.244125 0.755875 F\n0.244125 0.755875 0.755875 F\n0.244125 0.755875 0.244125 F\n0.755875 0.244125 0.755875 F\n0.755875 0.755875 0.244125 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"Cu",
"F"
],
"chemical_system": "Cu-F-In-Rb",
"density": 4.581938620967626,
"density_atomic": 0.0595589764405676,
"volume": 167.90080349985107,
"volume_molar": 10.11122272393204,
"formula_full": "Rb2 In1 Cu1 F6",
"formula_reduced": "Rb2InCuF6",
"formula_anonymous": "ABC2D6",
"energy": -46.1964732,
"energy_per_atom": -4.61964732,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.4244732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.403000Z",
"spacegroup": 225
}
]
}