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"formula_full": "Sr2 Eu2 Nb2 Bi2 O12",
"formula_reduced": "SrEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -168.39754146,
"energy_per_atom": -8.419877073,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.15354146,
"band_gap": 0.0453999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9856479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.403000Z",
"spacegroup": 2
},
{
"id": "mp-1106130",
"created_at": "2022-09-04T14:46:12.616076Z",
"structure_string": "Na2 Co2 Se2 O12 F2\n1.0\n7.368690 0.000000 0.000000\n0.000000 5.800720 0.000000\n0.000000 2.568190 6.752303\nNa Co Se O F\n2 2 2 12 2\ndirect\n0.750000 0.897589 0.699781 Na\n0.250000 0.102411 0.300219 Na\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.750000 0.361128 0.177203 Se\n0.250000 0.638872 0.822797 Se\n0.565340 0.291588 0.337178 O\n0.065340 0.708412 0.662822 O\n0.434660 0.708412 0.662822 O\n0.934660 0.291588 0.337178 O\n0.750000 0.153871 0.068005 O\n0.250000 0.846129 0.931995 O\n0.750000 0.651347 0.031257 O\n0.250000 0.348653 0.968743 O\n0.053405 0.741026 0.302508 O\n0.553405 0.258974 0.697492 O\n0.946595 0.258974 0.697492 O\n0.446595 0.741026 0.302508 O\n0.750000 0.643206 0.502938 F\n0.250000 0.356794 0.497062 F\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Na",
"Co",
"Se",
"O",
"F"
],
"chemical_system": "Co-F-Na-O-Se",
"density": 3.1744733445842477,
"density_atomic": 0.06929563589406205,
"volume": 288.61846409167305,
"volume_molar": 8.690505083475305,
"formula_full": "Na2 Co2 Se2 O12 F2",
"formula_reduced": "NaCoSeO6F",
"formula_anonymous": "ABCDE6",
"energy": -108.41323223,
"energy_per_atom": -5.4206616115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.96923223000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995224,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.254000Z",
"spacegroup": 11
}
]
}