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"id": "mp-1199756",
"created_at": "2022-09-04T14:48:18.445308Z",
"structure_string": "Co4 N28 O32\n1.0\n6.134346 0.000000 0.000000\n0.000000 10.837765 0.000000\n0.000000 0.000000 16.253865\nCo N O\n4 28 32\ndirect\n0.788400 0.455276 0.363934 Co\n0.711600 0.544724 0.863934 Co\n0.211600 0.955276 0.136066 Co\n0.288400 0.044724 0.636066 Co\n0.488873 0.380312 0.369038 N\n0.011127 0.619688 0.869038 N\n0.511127 0.880312 0.130962 N\n0.988873 0.119688 0.630962 N\n0.022868 0.582456 0.371998 N\n0.477132 0.417544 0.871998 N\n0.977132 0.082456 0.128002 N\n0.522868 0.917544 0.628002 N\n0.914416 0.352304 0.315129 N\n0.585584 0.647696 0.815129 N\n0.085584 0.852304 0.184871 N\n0.414416 0.147696 0.684871 N\n0.855156 0.395798 0.460578 N\n0.644844 0.604202 0.960578 N\n0.144844 0.895798 0.039422 N\n0.355156 0.104202 0.539422 N\n0.527205 0.721315 0.390312 N\n0.972795 0.278685 0.890312 N\n0.472795 0.221315 0.109688 N\n0.027205 0.778685 0.609688 N\n0.596640 0.629815 0.373736 N\n0.903360 0.370185 0.873736 N\n0.403360 0.129815 0.126264 N\n0.096640 0.870185 0.626264 N\n0.401775 0.463534 0.625255 N\n0.098225 0.536466 0.125255 N\n0.598225 0.963534 0.874745 N\n0.901775 0.036466 0.374745 N\n0.400570 0.365589 0.301769 O\n0.099430 0.634411 0.801769 O\n0.599430 0.865589 0.198231 O\n0.900570 0.134411 0.698231 O\n0.409231 0.362102 0.436920 O\n0.090769 0.637898 0.936920 O\n0.590769 0.862102 0.063080 O\n0.909231 0.137898 0.563080 O\n0.080911 0.615084 0.440900 O\n0.419089 0.384916 0.940900 O\n0.919089 0.115084 0.059100 O\n0.580911 0.884916 0.559100 O\n0.087822 0.623618 0.305919 O\n0.412178 0.376382 0.805919 O\n0.912178 0.123618 0.194081 O\n0.587822 0.876382 0.694081 O\n0.433665 0.580692 0.622258 O\n0.066335 0.419308 0.122258 O\n0.566335 0.080692 0.877742 O\n0.933665 0.919308 0.377742 O\n0.216013 0.420799 0.625984 O\n0.283987 0.579201 0.125984 O\n0.783987 0.920799 0.874016 O\n0.716013 0.079201 0.374016 O\n0.568877 0.392773 0.627633 O\n0.931123 0.607227 0.127633 O\n0.431123 0.892773 0.872367 O\n0.068877 0.107227 0.372367 O\n0.774978 0.547860 0.631342 O\n0.725022 0.452140 0.131342 O\n0.225022 0.047860 0.868658 O\n0.274978 0.952140 0.368658 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Co",
"N",
"O"
],
"chemical_system": "Co-N-O",
"density": 1.7516674281584306,
"density_atomic": 0.05922639895207865,
"volume": 1080.5992113716684,
"volume_molar": 10.168000868789344,
"formula_full": "Co4 N28 O32",
"formula_reduced": "CoN7O8",
"formula_anonymous": "AB7C8",
"energy": -405.24529686,
"energy_per_atom": -6.3319577634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.70929686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.6243948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.411000Z",
"spacegroup": 19
}
]
}