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{
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{
"id": "mp-15661",
"created_at": "2022-09-04T14:44:29.453258Z",
"structure_string": "Sc8 C6\n1.0\n-3.613190 3.613190 3.613190\n3.613190 -3.613190 3.613190\n3.613190 3.613190 -3.613190\nSc C\n8 6\ndirect\n0.500000 0.000000 0.401432 Sc\n0.598568 0.598568 0.598568 Sc\n0.000000 0.401432 0.500000 Sc\n0.401432 0.500000 0.000000 Sc\n0.000000 0.901432 0.500000 Sc\n0.901432 0.500000 0.000000 Sc\n0.500000 0.000000 0.901432 Sc\n0.098568 0.098568 0.098568 Sc\n0.875000 0.125000 0.750000 C\n0.375000 0.250000 0.625000 C\n0.125000 0.750000 0.875000 C\n0.750000 0.875000 0.125000 C\n0.250000 0.625000 0.375000 C\n0.625000 0.375000 0.250000 C\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.799358904962551,
"density_atomic": 0.07419858882769068,
"volume": 188.68283374649903,
"volume_molar": 8.116247027264968,
"formula_full": "Sc8 C6",
"formula_reduced": "Sc4C3",
"formula_anonymous": "A3B4",
"energy": -112.8174614,
"energy_per_atom": -8.0583901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.8174614,
"band_gap": 0.3287000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.567000Z",
"spacegroup": 220
}
]
}