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"created_at": "2022-09-04T14:36:12.764987Z",
"updated_at": "2022-09-04T14:36:12.765006Z",
"structure_string": "Fe1 Hg1 C4 S4 N4\n1.0\n4.077282 0.000000 1.099743\n2.038641 7.934169 0.549871\n-0.027558 0.000000 8.210280\nFe Hg C S N\n1 1 4 4 4\ndirect\n0.749999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Hg\n0.209201 0.191584 0.640659 C\n0.150139 0.640659 0.808416 C\n0.599214 0.359341 0.191584 C\n0.041444 0.808416 0.359341 C\n0.440349 0.024903 0.710498 S\n0.849151 0.710499 0.975096 S\n0.534747 0.289501 0.024903 S\n0.175751 0.975097 0.289501 S\n0.043738 0.311444 0.587634 N\n0.368628 0.587634 0.688555 N\n0.644817 0.412366 0.311444 N\n0.942816 0.688556 0.412366 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Fe",
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Fe-Hg-N-S",
"density": 3.052992032779358,
"density_atomic": 0.05266291149905961,
"volume": 265.84173949915385,
"volume_molar": 11.43525982247969,
"formula_full": "Fe1 Hg1 C4 S4 N4",
"formula_reduced": "FeHgC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.787965221428572,
"spacegroup": 82
}
]
}