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"id": "mp-864900",
"created_at": "2022-09-04T14:43:21.116226Z",
"structure_string": "Hg29\n1.0\n-6.075040 6.075040 6.075040\n6.075040 -6.075040 6.075040\n6.075040 6.075040 -6.075040\nHg\n29\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.345721 Hg\n0.000000 0.308745 0.587768 Hg\n0.000000 0.345721 0.000000 Hg\n0.000000 0.587768 0.308745 Hg\n0.000000 0.621251 0.807056 Hg\n0.000000 0.807056 0.621251 Hg\n0.814195 0.192944 0.192944 Hg\n0.807056 0.000000 0.621251 Hg\n0.807056 0.621251 0.000000 Hg\n0.720977 0.412232 0.412232 Hg\n0.691255 0.691255 0.279023 Hg\n0.691255 0.279023 0.691255 Hg\n0.654279 0.654279 0.654279 Hg\n0.621251 0.807056 0.000000 Hg\n0.621251 0.000000 0.807056 Hg\n0.587768 0.000000 0.308745 Hg\n0.587768 0.308745 0.000000 Hg\n0.412232 0.412232 0.720977 Hg\n0.412232 0.720977 0.412232 Hg\n0.378749 0.378749 0.185805 Hg\n0.378749 0.185805 0.378749 Hg\n0.345721 0.000000 0.000000 Hg\n0.308745 0.587768 0.000000 Hg\n0.308745 0.000000 0.587768 Hg\n0.279023 0.691255 0.691255 Hg\n0.192944 0.192944 0.814195 Hg\n0.192944 0.814195 0.192944 Hg\n0.185805 0.378749 0.378749 Hg\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.770824684026657,
"density_atomic": 0.03233631904427263,
"volume": 896.8244023166404,
"volume_molar": 18.62345788880579,
"formula_full": "Hg29",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -8.76355737,
"energy_per_atom": -0.3021916334482758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.76355737,
"band_gap": 0.5060999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.353000Z",
"spacegroup": 217
}
]
}