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"structure_string": "Ho4 Fe34 N6\n1.0\n0.000000 0.000000 -8.388930\n-4.317514 -7.478154 0.000000\n-4.317514 7.478154 0.000000\nHo Fe N\n4 34 6\ndirect\n0.750000 0.666667 0.333333 Ho\n0.250000 0.333333 0.666667 Ho\n0.750000 0.000000 0.000000 Ho\n0.250000 0.000000 0.000000 Ho\n0.750000 0.618600 0.671831 Fe\n0.250000 0.381400 0.328169 Fe\n0.750000 0.053231 0.381400 Fe\n0.250000 0.946769 0.328169 Fe\n0.250000 0.946769 0.618600 Fe\n0.750000 0.053231 0.671831 Fe\n0.750000 0.328169 0.946769 Fe\n0.250000 0.671831 0.618600 Fe\n0.250000 0.671831 0.053231 Fe\n0.750000 0.328169 0.381400 Fe\n0.250000 0.381400 0.053231 Fe\n0.750000 0.618600 0.946769 Fe\n0.392967 0.666667 0.333333 Fe\n0.607033 0.333333 0.666667 Fe\n0.892967 0.333333 0.666667 Fe\n0.107033 0.666667 0.333333 Fe\n0.979181 0.830997 0.169003 Fe\n0.020819 0.169003 0.830997 Fe\n0.979181 0.338005 0.169003 Fe\n0.479181 0.169003 0.830997 Fe\n0.020819 0.661995 0.830997 Fe\n0.520819 0.830997 0.169003 Fe\n0.979181 0.830997 0.661995 Fe\n0.479181 0.661995 0.830997 Fe\n0.020819 0.169003 0.338005 Fe\n0.520819 0.338005 0.169003 Fe\n0.479181 0.169003 0.338005 Fe\n0.520819 0.830997 0.661995 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.750000 0.836018 0.163982 N\n0.250000 0.163982 0.836018 N\n0.750000 0.327963 0.163982 N\n0.250000 0.672037 0.836018 N\n0.750000 0.836018 0.672037 N\n0.250000 0.163982 0.327963 N\n",
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"nelements": 3,
"elements": [
"Ho",
"Fe",
"N"
],
"chemical_system": "Fe-Ho-N",
"density": 8.100241517615082,
"density_atomic": 0.0812246692103239,
"volume": 541.707346152017,
"volume_molar": 7.41417702103066,
"formula_full": "Ho4 Fe34 N6",
"formula_reduced": "Ho2Fe17N3",
"formula_anonymous": "A2B3C17",
"energy": -368.64450128,
"energy_per_atom": -8.37828412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -366.47850127999993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 78.8808525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.412000Z",
"spacegroup": 194
}
]
}