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{
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"created_at": "2022-09-04T14:41:48.799101Z",
"structure_string": "K1 Pr1 Hf1 Zr1 O6\n1.0\n0.000000 -4.152789 -4.152789\n4.152789 0.000000 -4.152789\n4.152789 -4.152789 0.000000\nK Pr Hf Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751898 0.248102 0.248102 O\n0.248102 0.751898 0.751898 O\n0.751898 0.248102 0.751898 O\n0.248102 0.751898 0.248102 O\n0.751898 0.751898 0.248102 O\n0.248102 0.248102 0.751898 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Hf",
"Zr",
"O"
],
"chemical_system": "Hf-K-O-Pr-Zr",
"density": 6.326543099333372,
"density_atomic": 0.06981526773306049,
"volume": 143.23514504356152,
"volume_molar": 8.625822052313437,
"formula_full": "K1 Pr1 Hf1 Zr1 O6",
"formula_reduced": "KPrHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -88.77204678,
"energy_per_atom": -8.877204678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.65004678,
"band_gap": 2.6627,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.207000Z",
"spacegroup": 216
},
{
"id": "mp-1519728",
"created_at": "2022-09-04T14:41:51.206085Z",
"structure_string": "K1 Sr1 Pr1 W1 O6\n1.0\n0.000000 -4.298987 -4.298987\n4.298987 -0.000000 -4.298987\n4.298987 -4.298987 0.000000\nK Sr Pr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.727129 0.272871 0.272871 O\n0.272871 0.727129 0.727129 O\n0.727129 0.272871 0.727129 O\n0.272871 0.727129 0.272871 O\n0.727129 0.727129 0.272871 O\n0.272871 0.272871 0.727129 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"W",
"O"
],
"chemical_system": "K-O-Pr-Sr-W",
"density": 5.721039728322475,
"density_atomic": 0.06293201084862966,
"volume": 158.90164425308123,
"volume_molar": 9.569280686875002,
"formula_full": "K1 Sr1 Pr1 W1 O6",
"formula_reduced": "KSrPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.59312374,
"energy_per_atom": -7.859312374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.03312374,
"band_gap": 2.8602,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.774000Z",
"spacegroup": 216
}
]
}