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{
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{
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{
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{
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{
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{
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{
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"id": "mp-1516858",
"created_at": "2022-09-04T14:39:08.833903Z",
"structure_string": "Ba2 Ce1 Pr1 O6\n1.0\n-0.000000 -4.526694 -4.526694\n4.526694 0.000000 -4.526694\n4.526694 -4.526694 0.000000\nBa Ce Pr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Pr\n0.756729 0.243271 0.243271 O\n0.243271 0.756729 0.756729 O\n0.756729 0.243271 0.756729 O\n0.243271 0.756729 0.243271 O\n0.756729 0.756729 0.243271 O\n0.243271 0.243271 0.756729 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Pr",
"O"
],
"chemical_system": "Ba-Ce-O-Pr",
"density": 5.833189917635336,
"density_atomic": 0.05390469480248966,
"volume": 185.51259842283972,
"volume_molar": 11.171829804556946,
"formula_full": "Ba2 Ce1 Pr1 O6",
"formula_reduced": "Ba2CePrO6",
"formula_anonymous": "ABC2D6",
"energy": -76.52713186,
"energy_per_atom": -7.652713186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.40513186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.443000Z",
"spacegroup": 225
}
]
}