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"formula_full": "Sr1 Gd1 Zr1 Ti1 O6",
"formula_reduced": "SrGdZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -96.71106757,
"energy_per_atom": -9.671106757,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.58906757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1758226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.381000Z",
"spacegroup": 216
},
{
"id": "mp-1522421",
"created_at": "2022-09-04T14:40:59.979567Z",
"structure_string": "K1 Ce1 Hf1 Zr1 O6\n1.0\n0.000000 -4.152341 -4.152341\n4.152341 0.000000 -4.152341\n4.152341 -4.152341 0.000000\nK Ce Hf Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751881 0.248119 0.248119 O\n0.248119 0.751881 0.751881 O\n0.751881 0.248119 0.751881 O\n0.248119 0.751881 0.248119 O\n0.751881 0.751881 0.248119 O\n0.248119 0.248119 0.751881 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ce",
"Hf",
"Zr",
"O"
],
"chemical_system": "Ce-Hf-K-O-Zr",
"density": 6.319410403560608,
"density_atomic": 0.0698378674771062,
"volume": 143.18879371965554,
"volume_molar": 8.623030710343697,
"formula_full": "K1 Ce1 Hf1 Zr1 O6",
"formula_reduced": "KCeHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -89.73766444,
"energy_per_atom": -8.973766444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -85.61566444,
"band_gap": 0.1508999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.481000Z",
"spacegroup": 216
}
]
}