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{
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"id": "mp-1110995",
"created_at": "2022-09-04T14:39:27.394916Z",
"structure_string": "Na2 La1 Cu1 Cl6\n1.0\n0.000000 5.260472 5.260472\n5.260472 0.000000 5.260472\n5.260472 5.260472 0.000000\nNa La Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cu\n0.738485 0.261515 0.261515 Cl\n0.261515 0.261515 0.738485 Cl\n0.261515 0.738485 0.738485 Cl\n0.261515 0.738485 0.261515 Cl\n0.738485 0.261515 0.738485 Cl\n0.738485 0.738485 0.261515 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"La",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-La-Na",
"density": 2.6301846637162605,
"density_atomic": 0.03434755790677466,
"volume": 291.14151367447334,
"volume_molar": 17.53295176427143,
"formula_full": "Na2 La1 Cu1 Cl6",
"formula_reduced": "Na2LaCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.00138602,
"energy_per_atom": -4.200138602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.31738602,
"band_gap": 1.3857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.141000Z",
"spacegroup": 225
}
]
}