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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.042000Z",
"spacegroup": 216
},
{
"id": "mp-1517350",
"created_at": "2022-09-04T14:41:48.396251Z",
"structure_string": "K1 Sr1 Pr1 Se1 O6\n1.0\n0.000000 -4.153633 -4.153633\n4.153633 0.000000 -4.153633\n4.153633 -4.153633 0.000000\nK Sr Pr Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Se\n0.720676 0.279324 0.279324 O\n0.279324 0.720676 0.720676 O\n0.720676 0.279324 0.720676 O\n0.279324 0.720676 0.279324 O\n0.720676 0.720676 0.279324 O\n0.279324 0.279324 0.720676 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Se",
"O"
],
"chemical_system": "K-O-Pr-Se-Sr",
"density": 5.127773441267003,
"density_atomic": 0.06977271791197957,
"volume": 143.3224947982578,
"volume_molar": 8.631082377494764,
"formula_full": "K1 Sr1 Pr1 Se1 O6",
"formula_reduced": "KSrPrSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.46710645,
"energy_per_atom": -6.4467106450000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.34510645,
"band_gap": 1.9789000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.346000Z",
"spacegroup": 216
}
]
}