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},
{
"id": "mp-1022142",
"created_at": "2022-09-04T14:40:08.402575Z",
"structure_string": "Cs2 Mg12 Cu2\n1.0\n4.966722 0.000000 0.000000\n0.000000 6.206319 0.000000\n0.000000 0.000000 15.843441\nCs Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.207138 Cs\n0.500000 0.000000 0.707138 Cs\n0.500000 0.241559 0.435120 Mg\n0.500000 0.758441 0.435120 Mg\n0.000000 0.757421 0.053275 Mg\n0.000000 0.242579 0.053275 Mg\n0.000000 0.000000 0.365830 Mg\n0.000000 0.500000 0.386551 Mg\n0.500000 0.741559 0.935120 Mg\n0.500000 0.258441 0.935120 Mg\n0.000000 0.257421 0.553275 Mg\n0.000000 0.742579 0.553275 Mg\n0.000000 0.500000 0.865830 Mg\n0.000000 0.000000 0.886551 Mg\n0.500000 0.000000 0.063688 Cu\n0.500000 0.500000 0.563688 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Cu"
],
"chemical_system": "Cs-Cu-Mg",
"density": 2.327603499174951,
"density_atomic": 0.03276170726175216,
"volume": 488.37503711777833,
"volume_molar": 18.381645107459285,
"formula_full": "Cs2 Mg12 Cu2",
"formula_reduced": "CsMg6Cu",
"formula_anonymous": "ABC6",
"energy": -25.33345754,
"energy_per_atom": -1.58334109625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.33345754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.020000Z",
"spacegroup": 38
}
]
}