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{
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"volume_molar": 5.706332075185218,
"formula_full": "Mn12 Fe8 N16",
"formula_reduced": "Mn3(FeN2)2",
"formula_anonymous": "A2B3C4",
"energy": -316.93356781,
"energy_per_atom": -8.803710216944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.15756781,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7630063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.326000Z",
"spacegroup": 52
},
{
"id": "mp-1189780",
"created_at": "2022-09-04T14:41:56.223995Z",
"structure_string": "Os8 C12\n1.0\n5.017553 0.000000 0.000000\n0.000000 5.017553 0.000000\n0.000000 0.000000 7.911564\nOs C\n8 12\ndirect\n0.500000 0.000000 0.394899 Os\n0.500000 0.000000 0.894899 Os\n0.000000 0.500000 0.605101 Os\n0.000000 0.500000 0.105101 Os\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.250000 Os\n0.500000 0.500000 0.750000 Os\n0.229974 0.660084 0.419331 C\n0.770026 0.339916 0.419331 C\n0.229974 0.339916 0.919331 C\n0.770026 0.660084 0.919331 C\n0.660084 0.770026 0.580669 C\n0.339916 0.229974 0.580669 C\n0.339916 0.770026 0.080669 C\n0.660084 0.229974 0.080669 C\n0.167837 0.167837 0.250000 C\n0.832163 0.832163 0.250000 C\n0.167837 0.832163 0.750000 C\n0.832163 0.167837 0.750000 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 13.888955105762511,
"density_atomic": 0.1004115596491832,
"volume": 199.18025444356982,
"volume_molar": 5.997457644358965,
"formula_full": "Os8 C12",
"formula_reduced": "Os2C3",
"formula_anonymous": "A2B3",
"energy": -176.07622334,
"energy_per_atom": -8.803811167000001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -176.07622334,
"band_gap": 0.2374999999999989,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.821000Z",
"spacegroup": 116
}
]
}