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{
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"id": "mp-667353",
"created_at": "2022-09-04T14:44:02.563374Z",
"structure_string": "Rb12 Ce8 N36 O108\n1.0\n13.976113 0.000000 0.000000\n0.000000 13.976113 0.000000\n0.000000 0.000000 13.976113\nRb Ce N O\n12 8 36 108\ndirect\n0.304504 0.445496 0.875000 Rb\n0.125000 0.804504 0.054504 Rb\n0.375000 0.195496 0.554504 Rb\n0.554504 0.375000 0.195496 Rb\n0.195496 0.554504 0.375000 Rb\n0.054504 0.125000 0.804504 Rb\n0.625000 0.695496 0.945496 Rb\n0.875000 0.304504 0.445496 Rb\n0.695496 0.945496 0.625000 Rb\n0.445496 0.875000 0.304504 Rb\n0.804504 0.054504 0.125000 Rb\n0.945496 0.625000 0.695496 Rb\n0.694933 0.305067 0.805067 Ce\n0.194933 0.194933 0.194933 Ce\n0.305067 0.805067 0.694933 Ce\n0.805067 0.694933 0.305067 Ce\n0.944933 0.444933 0.055067 Ce\n0.444933 0.055067 0.944933 Ce\n0.055067 0.944933 0.444933 Ce\n0.555067 0.555067 0.555067 Ce\n0.766164 0.625000 0.516164 N\n0.846310 0.388322 0.672922 N\n0.077078 0.361678 0.903690 N\n0.233836 0.125000 0.983836 N\n0.327078 0.346310 0.111678 N\n0.422922 0.638322 0.403690 N\n0.983836 0.233836 0.125000 N\n0.346310 0.111678 0.327078 N\n0.638322 0.403690 0.422922 N\n0.375000 0.016164 0.733836 N\n0.861678 0.596310 0.922922 N\n0.388322 0.672922 0.846310 N\n0.361678 0.903690 0.077078 N\n0.516164 0.766164 0.625000 N\n0.125000 0.983836 0.233836 N\n0.153690 0.888322 0.827078 N\n0.266164 0.875000 0.483836 N\n0.172922 0.653690 0.611678 N\n0.403690 0.422922 0.638322 N\n0.596310 0.922922 0.861678 N\n0.096310 0.577078 0.138322 N\n0.733836 0.375000 0.016164 N\n0.903690 0.077078 0.361678 N\n0.827078 0.153690 0.888322 N\n0.653690 0.611678 0.172922 N\n0.138322 0.096310 0.577078 N\n0.483836 0.266164 0.875000 N\n0.611678 0.172922 0.653690 N\n0.888322 0.827078 0.153690 N\n0.922922 0.861678 0.596310 N\n0.875000 0.483836 0.266164 N\n0.625000 0.516164 0.766164 N\n0.672922 0.846310 0.388322 N\n0.111678 0.327078 0.346310 N\n0.577078 0.138322 0.096310 N\n0.016164 0.733836 0.375000 N\n0.005455 0.151587 0.154360 O\n0.326573 0.074891 0.245524 O\n0.448588 0.400232 0.561700 O\n0.076573 0.495524 0.175109 O\n0.698588 0.688300 0.150232 O\n0.811700 0.849768 0.198588 O\n0.404360 0.098413 0.755455 O\n0.051412 0.599768 0.061700 O\n0.074515 0.381770 0.406317 O\n0.173427 0.925109 0.745524 O\n0.900232 0.938300 0.551412 O\n0.650232 0.801412 0.311700 O\n0.595640 0.598413 0.744545 O\n0.425485 0.618230 0.906317 O\n0.995524 0.324891 0.923427 O\n0.188300 0.349768 0.301412 O\n0.549191 0.200809 0.875000 O\n0.098413 0.755455 0.404360 O\n0.368230 0.675485 0.343683 O\n0.675109 0.423427 0.504476 O\n0.004476 0.824891 0.576573 O\n0.875000 0.549191 0.200809 O\n0.450809 0.700809 0.625000 O\n0.656317 0.868230 0.824515 O\n0.401587 0.244545 0.904360 O\n0.118230 0.593683 0.574515 O\n0.688300 0.150232 0.698588 O\n0.700809 0.625000 0.450809 O\n0.574891 0.254476 0.673427 O\n0.301412 0.188300 0.349768 O\n0.618230 0.906317 0.425485 O\n0.175485 0.156317 0.631770 O\n0.754476 0.826573 0.425109 O\n0.631770 0.175485 0.156317 O\n0.673427 0.574891 0.254476 O\n0.154360 0.005455 0.151587 O\n0.061700 0.051412 0.599768 O\n0.848413 0.654360 0.494545 O\n0.125000 0.049191 0.299191 O\n0.095640 0.901587 0.255455 O\n0.245524 0.326573 0.074891 O\n0.745524 0.173427 0.925109 O\n0.994545 0.651587 0.345640 O\n0.901587 0.255455 0.095640 O\n0.868230 0.824515 0.656317 O\n0.948588 0.099768 0.438300 O\n0.425109 0.754476 0.826573 O\n0.505455 0.348413 0.845640 O\n0.801412 0.311700 0.650232 O\n0.625000 0.450809 0.700809 O\n0.381770 0.406317 0.074515 O\n0.345640 0.994545 0.651587 O\n0.406317 0.074515 0.381770 O\n0.175109 0.076573 0.495524 O\n0.324891 0.923427 0.995524 O\n0.598413 0.744545 0.595640 O\n0.311700 0.650232 0.801412 O\n0.349768 0.301412 0.188300 O\n0.654360 0.494545 0.848413 O\n0.504476 0.675109 0.423427 O\n0.200809 0.875000 0.549191 O\n0.906317 0.425485 0.618230 O\n0.400232 0.561700 0.448588 O\n0.299191 0.125000 0.049191 O\n0.923427 0.995524 0.324891 O\n0.824891 0.576573 0.004476 O\n0.576573 0.004476 0.824891 O\n0.151587 0.154360 0.005455 O\n0.324515 0.843683 0.131770 O\n0.495524 0.175109 0.076573 O\n0.938300 0.551412 0.900232 O\n0.845640 0.505455 0.348413 O\n0.755455 0.404360 0.098413 O\n0.198588 0.811700 0.849768 O\n0.093683 0.925485 0.881770 O\n0.375000 0.950809 0.799191 O\n0.551412 0.900232 0.938300 O\n0.244545 0.904360 0.401587 O\n0.150232 0.698588 0.688300 O\n0.423427 0.504476 0.675109 O\n0.593683 0.574515 0.118230 O\n0.254476 0.673427 0.574891 O\n0.438300 0.948588 0.099768 O\n0.074891 0.245524 0.326573 O\n0.826573 0.425109 0.754476 O\n0.675485 0.343683 0.368230 O\n0.131770 0.324515 0.843683 O\n0.574515 0.118230 0.593683 O\n0.843683 0.131770 0.324515 O\n0.494545 0.848413 0.654360 O\n0.156317 0.631770 0.175485 O\n0.799191 0.375000 0.950809 O\n0.950809 0.799191 0.375000 O\n0.904360 0.401587 0.244545 O\n0.744545 0.595640 0.598413 O\n0.255455 0.095640 0.901587 O\n0.925485 0.881770 0.093683 O\n0.881770 0.093683 0.925485 O\n0.561700 0.448588 0.400232 O\n0.049191 0.299191 0.125000 O\n0.651587 0.345640 0.994545 O\n0.348413 0.845640 0.505455 O\n0.925109 0.745524 0.173427 O\n0.343683 0.368230 0.675485 O\n0.824515 0.656317 0.868230 O\n0.099768 0.438300 0.948588 O\n0.849768 0.198588 0.811700 O\n0.599768 0.061700 0.051412 O\n",
"nsites": 164,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"N",
"O"
],
"chemical_system": "Ce-N-O-Rb",
"density": 2.6634028729600585,
"density_atomic": 0.06007373548979097,
"volume": 2729.978395098644,
"volume_molar": 10.024581809172517,
"formula_full": "Rb12 Ce8 N36 O108",
"formula_reduced": "Rb3Ce2(NO3)9",
"formula_anonymous": "A2B3C9D27",
"energy": -1132.41019653,
"energy_per_atom": -6.904940222743901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1058.21419653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.024849,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.874000Z",
"spacegroup": 213
}
]
}