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{
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{
"id": "mp-1093753",
"created_at": "2022-09-04T14:42:15.544410Z",
"structure_string": "Mg1 Cd1 Hg2\n1.0\n-5.951663 6.762131 8.415275\n5.951663 -6.762131 8.415275\n5.951663 6.762131 -8.415275\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n0.248579 0.000000 0.248579 Hg\n0.751421 0.000000 0.751421 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Mg",
"density": 0.6593214361824085,
"density_atomic": 0.0029526350790100315,
"volume": 1354.7221017712532,
"volume_molar": 203.9581796887383,
"formula_full": "Mg1 Cd1 Hg2",
"formula_reduced": "MgCdHg2",
"formula_anonymous": "ABC2",
"energy": -0.75293421,
"energy_per_atom": -0.1882335525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.75293421,
"band_gap": 1.38,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.457000Z",
"spacegroup": 71
}
]
}