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"id": "mp-1223955",
"created_at": "2022-09-04T14:39:10.293742Z",
"structure_string": "Hg2 Te1 S1\n1.0\n7.440555 -2.243085 0.000000\n7.440555 2.243085 0.000000\n6.764337 0.000000 3.825837\nHg Te S\n2 1 1\ndirect\n0.991717 0.991717 0.991717 Hg\n0.507107 0.507107 0.507107 Hg\n0.376722 0.376722 0.376722 Te\n0.874454 0.874454 0.874454 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Te",
"S"
],
"chemical_system": "Hg-S-Te",
"density": 7.292634183657244,
"density_atomic": 0.031322215286111836,
"volume": 127.70488815883935,
"volume_molar": 19.2264203058147,
"formula_full": "Hg2 Te1 S1",
"formula_reduced": "Hg2TeS",
"formula_anonymous": "ABC2",
"energy": -9.22663685,
"energy_per_atom": -2.3066592125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.30163685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.765000Z",
"spacegroup": 160
}
]
}