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"volume_molar": 9.964343118701695,
"formula_full": "Co1 Ni2 Se4",
"formula_reduced": "Co(NiSe2)2",
"formula_anonymous": "AB2C4",
"energy": -36.43309406,
"energy_per_atom": -5.204727722857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.54509406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0293521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.460000Z",
"spacegroup": 12
},
{
"id": "mp-1226512",
"created_at": "2022-09-04T14:46:05.677831Z",
"structure_string": "Co1 Ni2 Se4\n1.0\n1.815760 5.995413 0.000000\n-1.815760 5.995413 0.000000\n0.000000 3.092073 5.333100\nCo Ni Se\n1 2 4\ndirect\n0.740086 0.740086 0.278580 Co\n0.002001 0.002001 0.002441 Ni\n0.259694 0.259694 0.722271 Ni\n0.876650 0.876650 0.453767 Se\n0.122232 0.122232 0.535972 Se\n0.635785 0.635785 0.026265 Se\n0.363552 0.363552 0.980705 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Co",
"Ni",
"Se"
],
"chemical_system": "Co-Ni-Se",
"density": 7.038305832432868,
"density_atomic": 0.060285208501436816,
"volume": 116.11471825353586,
"volume_molar": 9.989416823293348,
"formula_full": "Co1 Ni2 Se4",
"formula_reduced": "Co(NiSe2)2",
"formula_anonymous": "AB2C4",
"energy": -36.51296474,
"energy_per_atom": -5.21613782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.62496474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.270000Z",
"spacegroup": 8
}
]
}