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C\n0.694765 0.937501 0.600512 C\n0.194765 0.437501 0.899488 C\n0.298520 0.959172 0.479246 C\n0.798520 0.459172 0.020754 C\n0.701480 0.040828 0.520754 C\n0.201480 0.540828 0.979246 C\n0.318377 0.859592 0.438148 C\n0.818377 0.359592 0.061852 C\n0.681623 0.140408 0.561852 C\n0.181623 0.640408 0.938148 C\n0.310955 0.926332 0.383767 C\n0.810955 0.426332 0.116233 C\n0.689045 0.073668 0.616233 C\n0.189045 0.573668 0.883767 C\n0.356860 0.079393 0.453871 O\n0.856860 0.579393 0.046129 O\n0.643140 0.920607 0.546129 O\n0.143140 0.420607 0.953871 O\n",
"nsites": 244,
"nelements": 5,
"elements": [
"Co",
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-Co-H-O",
"density": 1.179671719057487,
"density_atomic": 0.10066710508083575,
"volume": 2423.830503559905,
"volume_molar": 5.982232979844029,
"formula_full": "Co4 B40 H124 C72 O4",
"formula_reduced": "CoB10H31C18O",
"formula_anonymous": "ABC10D18E31",
"energy": -1422.2259109,
"energy_per_atom": -5.828794716803278,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1412.9259109,
"band_gap": 1.8064,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0234567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.977000Z",
"spacegroup": 14
}
]
}