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"id": "mp-1521724",
"created_at": "2022-09-04T14:44:10.453286Z",
"structure_string": "K4 Sr4 Pr4 Sb4 O24\n1.0\n8.658200 0.000000 0.000000\n0.000000 8.615217 0.000000\n0.000000 0.000000 8.632469\nK Sr Pr Sb O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.019849 0.226782 0.259691 O\n0.980151 0.773218 0.259691 O\n0.980151 0.226782 0.740309 O\n0.019849 0.773218 0.740309 O\n0.268340 0.019804 0.229345 O\n0.268340 0.980196 0.770655 O\n0.731660 0.980196 0.229345 O\n0.731660 0.019804 0.770655 O\n0.214474 0.270464 0.019580 O\n0.785526 0.270464 0.980420 O\n0.214474 0.729536 0.980420 O\n0.785526 0.729536 0.019580 O\n0.480151 0.273218 0.240309 O\n0.519849 0.726782 0.240309 O\n0.519849 0.273218 0.759691 O\n0.480151 0.726782 0.759691 O\n0.231660 0.480196 0.270655 O\n0.231660 0.519804 0.729345 O\n0.768340 0.519804 0.270655 O\n0.768340 0.480196 0.729345 O\n0.285526 0.229536 0.480420 O\n0.714474 0.229536 0.519580 O\n0.285526 0.770464 0.519580 O\n0.714474 0.770464 0.480420 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Pr",
"Sb",
"O"
],
"chemical_system": "K-O-Pr-Sb-Sr",
"density": 5.006845691390694,
"density_atomic": 0.06211995456277746,
"volume": 643.9154742068689,
"volume_molar": 9.694374058039784,
"formula_full": "K4 Sr4 Pr4 Sb4 O24",
"formula_reduced": "KSrPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -268.32664674,
"energy_per_atom": -6.7081661685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.83864674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.127000Z",
"spacegroup": 48
}
]
}