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{
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"volume": 626.100974969193,
"volume_molar": 6.982348520810586,
"formula_full": "Fe18 O18 F18",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy": -384.771426,
"energy_per_atom": -7.1253967777777785,
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"energy_uncorrected": -323.481426,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:29.212000Z",
"spacegroup": 6
},
{
"id": "mp-1201822",
"created_at": "2022-09-04T14:48:21.515692Z",
"structure_string": "Zn4 Fe16 Ni4 O32\n1.0\n5.961926 5.939325 0.000000\n-5.961926 5.939325 0.000000\n0.000000 0.003897 8.383960\nZn Fe Ni O\n4 16 4 32\ndirect\n0.999642 0.499795 0.008741 Zn\n0.003102 0.003102 0.500801 Zn\n0.496411 0.496411 0.497010 Zn\n0.499795 0.999642 0.008741 Zn\n0.750515 0.750515 0.746590 Fe\n0.248943 0.248943 0.743864 Fe\n0.751521 0.251150 0.246592 Fe\n0.251150 0.751521 0.246592 Fe\n0.872663 0.626657 0.372395 Fe\n0.628893 0.374716 0.874324 Fe\n0.871785 0.871785 0.126853 Fe\n0.627955 0.627955 0.129321 Fe\n0.126461 0.626017 0.623268 Fe\n0.626017 0.126461 0.623268 Fe\n0.373200 0.125668 0.372467 Fe\n0.874766 0.126408 0.874578 Fe\n0.374716 0.628893 0.874324 Fe\n0.126408 0.874766 0.874578 Fe\n0.626657 0.872663 0.372395 Fe\n0.125668 0.373200 0.372467 Fe\n0.374653 0.874907 0.625374 Ni\n0.126507 0.126507 0.126439 Ni\n0.874907 0.374653 0.625374 Ni\n0.372258 0.372258 0.127897 Ni\n0.617268 0.112182 0.378212 O\n0.874415 0.874415 0.891065 O\n0.121118 0.383351 0.610096 O\n0.391806 0.623360 0.120721 O\n0.356977 0.356977 0.370672 O\n0.133368 0.639463 0.867097 O\n0.641311 0.859558 0.141653 O\n0.863238 0.129282 0.640805 O\n0.112182 0.617268 0.378212 O\n0.620308 0.620308 0.888835 O\n0.113062 0.113062 0.875338 O\n0.381984 0.381984 0.877503 O\n0.886324 0.388985 0.373798 O\n0.388985 0.886324 0.373798 O\n0.623588 0.881455 0.607571 O\n0.109167 0.875290 0.114850 O\n0.623360 0.391806 0.120721 O\n0.875290 0.109167 0.114850 O\n0.383351 0.121118 0.610096 O\n0.881455 0.623588 0.607571 O\n0.861332 0.861332 0.362116 O\n0.370272 0.864466 0.870273 O\n0.864466 0.370272 0.870273 O\n0.639463 0.133368 0.867097 O\n0.140106 0.140106 0.369494 O\n0.638245 0.638245 0.361220 O\n0.130883 0.367789 0.144980 O\n0.631738 0.363717 0.634695 O\n0.129282 0.863238 0.640805 O\n0.363717 0.631738 0.634695 O\n0.859558 0.641311 0.141653 O\n0.367789 0.130883 0.144980 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Ni-O-Zn",
"density": 5.319077102501361,
"density_atomic": 0.09431595400051679,
"volume": 593.7489642493905,
"volume_molar": 6.385071140739353,
"formula_full": "Zn4 Fe16 Ni4 O32",
"formula_reduced": "ZnFe4NiO8",
"formula_anonymous": "ABC4D8",
"energy": -411.01505668,
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"energy_uncorrected": -342.77105668,
"band_gap": 1.1434999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 87.9974522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09.419000Z",
"spacegroup": 8
}
]
}