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"structure_string": "La1 Zn1 Fe1 Sn1 O6\n1.0\n-0.000000 -3.996048 -3.996048\n3.996048 0.000000 -3.996048\n3.996048 -3.996048 -0.000000\nLa Zn Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 -0.000000 Sn\n0.748199 0.251801 0.251801 O\n0.251801 0.748199 0.748199 O\n0.748199 0.251801 0.748199 O\n0.251801 0.748199 0.251801 O\n0.748199 0.748199 0.251801 O\n0.251801 0.251801 0.748199 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-La-O-Sn-Zn",
"density": 6.178712244252848,
"density_atomic": 0.07835702082207932,
"volume": 127.62098271584892,
"volume_molar": 7.685515218443693,
"formula_full": "La1 Zn1 Fe1 Sn1 O6",
"formula_reduced": "LaZnFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -65.79413788,
"energy_per_atom": -6.579413787999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.41613788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7017941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.617000Z",
"spacegroup": 216
},
{
"id": "mp-1519944",
"created_at": "2022-09-04T14:44:07.321465Z",
"structure_string": "Ba1 Ca1 Ce1 Fe1 O6\n1.0\n0.000000 -4.168545 -4.168545\n4.168545 0.000000 -4.168545\n4.168545 -4.168545 0.000000\nBa Ca Ce Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.737166 0.262834 0.262834 O\n0.262834 0.737166 0.737166 O\n0.737166 0.262834 0.737166 O\n0.262834 0.737166 0.262834 O\n0.737166 0.737166 0.262834 O\n0.262834 0.262834 0.737166 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Ce",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Ce-Fe-O",
"density": 5.379896433863745,
"density_atomic": 0.06902660632838449,
"volume": 144.87167386480496,
"volume_molar": 8.724376121506687,
"formula_full": "Ba1 Ca1 Ce1 Fe1 O6",
"formula_reduced": "BaCaCeFeO6",
"formula_anonymous": "ABCDE6",
"energy": -75.83362955,
"energy_per_atom": -7.583362955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.45562955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.540000Z",
"spacegroup": 216
}
]
}