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{
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{
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{
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"id": "mp-1039966",
"created_at": "2022-09-04T14:46:54.064129Z",
"structure_string": "Rb1 Ce1 Mg30 O32\n1.0\n8.713509 0.000000 0.000000\n0.000000 8.713509 0.000000\n0.000000 0.000000 8.704482\nRb Ce Mg O\n1 1 30 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256253 0.256253 0.000000 Mg\n0.743747 0.256253 0.000000 Mg\n0.256253 0.743747 0.000000 Mg\n0.743747 0.743747 0.000000 Mg\n0.251456 0.251456 0.500000 Mg\n0.748544 0.251456 0.500000 Mg\n0.251456 0.748544 0.500000 Mg\n0.748544 0.748544 0.500000 Mg\n0.258835 0.000000 0.257797 Mg\n0.741165 0.000000 0.257797 Mg\n0.248440 0.500000 0.253553 Mg\n0.751560 0.500000 0.253553 Mg\n0.258835 0.000000 0.742203 Mg\n0.741165 0.000000 0.742203 Mg\n0.248440 0.500000 0.746447 Mg\n0.751560 0.500000 0.746447 Mg\n0.000000 0.258835 0.257797 Mg\n0.500000 0.248440 0.253553 Mg\n0.000000 0.741165 0.257797 Mg\n0.500000 0.751560 0.253553 Mg\n0.000000 0.258835 0.742203 Mg\n0.500000 0.248440 0.746447 Mg\n0.000000 0.741165 0.742203 Mg\n0.500000 0.751560 0.746447 Mg\n0.000000 0.000000 0.265092 O\n0.500000 0.000000 0.257448 O\n0.000000 0.500000 0.257448 O\n0.500000 0.500000 0.278983 O\n0.000000 0.000000 0.734908 O\n0.500000 0.000000 0.742552 O\n0.000000 0.500000 0.742552 O\n0.500000 0.500000 0.721017 O\n0.249221 0.249221 0.248894 O\n0.750779 0.249221 0.248894 O\n0.249221 0.750779 0.248894 O\n0.750779 0.750779 0.248894 O\n0.249221 0.249221 0.751106 O\n0.750779 0.249221 0.751106 O\n0.249221 0.750779 0.751106 O\n0.750779 0.750779 0.751106 O\n0.260629 0.000000 0.000000 O\n0.739371 0.000000 0.000000 O\n0.222292 0.500000 0.000000 O\n0.777708 0.500000 0.000000 O\n0.250469 0.000000 0.500000 O\n0.749531 0.000000 0.500000 O\n0.244181 0.500000 0.500000 O\n0.755819 0.500000 0.500000 O\n0.000000 0.260629 0.000000 O\n0.500000 0.222292 0.000000 O\n0.000000 0.739371 0.000000 O\n0.500000 0.777708 0.000000 O\n0.000000 0.250469 0.500000 O\n0.500000 0.244181 0.500000 O\n0.000000 0.749531 0.500000 O\n0.500000 0.755819 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"Mg",
"O"
],
"chemical_system": "Ce-Mg-O-Rb",
"density": 3.6852386116012523,
"density_atomic": 0.09683912891429766,
"volume": 660.8898770314199,
"volume_molar": 6.218706041159846,
"formula_full": "Rb1 Ce1 Mg30 O32",
"formula_reduced": "RbCeMg30O32",
"formula_anonymous": "ABC30D32",
"energy": -400.73632923,
"energy_per_atom": -6.26150514421875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.75232923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9673899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.723000Z",
"spacegroup": 123
}
]
}