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"energy_uncorrected": -161.16922389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0039281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.035000Z",
"spacegroup": 64
},
{
"id": "mp-1245659",
"created_at": "2022-09-04T14:40:30.156837Z",
"structure_string": "Co1 C1 N1\n1.0\n2.675875 -0.596389 -0.602037\n1.920543 2.039035 0.000000\n-0.496619 0.467759 3.897135\nCo C N\n1 1 1\ndirect\n0.005011 0.997495 0.967965 Co\n0.890322 0.554839 0.295083 C\n0.122668 0.438666 0.645952 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"C",
"N"
],
"chemical_system": "C-Co-N",
"density": 5.739707632934421,
"density_atomic": 0.12206622201547572,
"volume": 24.576823550905473,
"volume_molar": 4.933503028574526,
"formula_full": "Co1 C1 N1",
"formula_reduced": "CoCN",
"formula_anonymous": "ABC",
"energy": -23.94092513,
"energy_per_atom": -7.980308376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.57992513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.699000Z",
"spacegroup": 160
}
]
}