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"structure_string": "C20\n1.0\n5.217362 0.000000 0.000000\n0.000000 5.217362 0.000000\n0.000000 0.000000 5.217362\nC\n20\ndirect\n0.500000 0.151512 0.848488 C\n0.151512 0.151512 0.500000 C\n0.151512 0.500000 0.848488 C\n0.500000 0.848488 0.151512 C\n0.151512 0.848488 0.500000 C\n0.151512 0.500000 0.151512 C\n0.500000 0.151512 0.151512 C\n0.848488 0.151512 0.500000 C\n0.848488 0.500000 0.151512 C\n0.500000 0.848488 0.848488 C\n0.848488 0.848488 0.500000 C\n0.848488 0.500000 0.848488 C\n0.262423 0.262423 0.737577 C\n0.262423 0.737577 0.262423 C\n0.737577 0.262423 0.262423 C\n0.737577 0.737577 0.737577 C\n0.737577 0.737577 0.262423 C\n0.737577 0.262423 0.737577 C\n0.262423 0.737577 0.737577 C\n0.262423 0.262423 0.262423 C\n",
"nsites": 20,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.8086298056241454,
"density_atomic": 0.14082413213255804,
"volume": 142.02111312267104,
"volume_molar": 4.27635567058304,
"formula_full": "C20",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -169.26884007,
"energy_per_atom": -8.4634420035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.26884007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0198377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.220000Z",
"spacegroup": 221
}
]
}