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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -288.69859724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000043,
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"updated_at": "2021-11-28T01:34:46.686000Z",
"spacegroup": 48
},
{
"id": "mp-1519219",
"created_at": "2022-09-04T14:39:36.440834Z",
"structure_string": "Ca1 Nd1 Hf1 Fe1 O6\n1.0\n0.000000 -4.011174 -4.011174\n4.011174 0.000000 -4.011174\n4.011174 -4.011174 0.000000\nCa Nd Hf Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.753576 0.246424 0.246424 O\n0.246424 0.753576 0.753576 O\n0.753576 0.246424 0.753576 O\n0.246424 0.753576 0.246424 O\n0.753576 0.753576 0.246424 O\n0.246424 0.246424 0.753576 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Nd",
"Hf",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Hf-Nd-O",
"density": 6.620911085064052,
"density_atomic": 0.07747391443505058,
"volume": 129.0757033889567,
"volume_molar": 7.773120545043064,
"formula_full": "Ca1 Nd1 Hf1 Fe1 O6",
"formula_reduced": "CaNdHfFeO6",
"formula_anonymous": "ABCDE6",
"energy": -86.07434427,
"energy_per_atom": -8.607434427,
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"energy_uncorrected": -79.69634427,
"band_gap": 2.0833000000000004,
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"total_magnetization": 5.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.499000Z",
"spacegroup": 216
}
]
}