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"id": "mp-1019713",
"created_at": "2022-09-04T14:42:14.698084Z",
"structure_string": "Cs16 Si12 O32\n1.0\n9.537101 0.000000 0.000000\n-4.629841 10.347453 0.000000\n-2.540005 -4.133637 12.791512\nCs Si O\n16 12 32\ndirect\n0.606632 0.268769 0.750772 Cs\n0.393368 0.731231 0.249228 Cs\n0.959255 0.728263 0.243499 Cs\n0.040745 0.271737 0.756501 Cs\n0.381675 0.900375 0.828861 Cs\n0.618325 0.099625 0.171139 Cs\n0.932567 0.900976 0.828917 Cs\n0.067433 0.099024 0.171083 Cs\n0.609733 0.924002 0.590918 Cs\n0.390267 0.075998 0.409082 Cs\n0.375364 0.258239 0.993791 Cs\n0.624636 0.741761 0.006209 Cs\n0.925888 0.545390 0.640534 Cs\n0.074112 0.454610 0.359466 Cs\n0.429701 0.556858 0.657149 Cs\n0.570299 0.443142 0.342851 Cs\n0.818285 0.951492 0.357260 Si\n0.181715 0.048508 0.642740 Si\n0.191434 0.791126 0.521739 Si\n0.808566 0.208874 0.478261 Si\n0.866187 0.795315 0.516114 Si\n0.133813 0.204685 0.483886 Si\n0.195649 0.598681 0.934755 Si\n0.804351 0.401319 0.065245 Si\n0.807098 0.140897 0.942236 Si\n0.192902 0.859103 0.057764 Si\n0.874304 0.599237 0.927563 Si\n0.125696 0.400763 0.072437 Si\n0.983161 0.947536 0.606154 O\n0.016839 0.052464 0.393846 O\n0.786039 0.825148 0.410005 O\n0.213961 0.174852 0.589995 O\n0.746257 0.890917 0.233365 O\n0.253743 0.109083 0.766635 O\n0.263640 0.959195 0.588105 O\n0.736360 0.040805 0.411895 O\n0.749745 0.217918 0.581327 O\n0.250255 0.782082 0.418673 O\n0.238956 0.715652 0.600161 O\n0.761044 0.284348 0.399839 O\n0.987452 0.732816 0.484310 O\n0.012548 0.267184 0.515690 O\n0.730238 0.697676 0.555961 O\n0.269762 0.302324 0.444039 O\n0.997269 0.542813 0.887179 O\n0.002731 0.457187 0.112821 O\n0.779741 0.499099 0.993636 O\n0.220259 0.500901 0.006364 O\n0.278452 0.593679 0.844258 O\n0.721548 0.406321 0.155742 O\n0.728113 0.246476 0.981564 O\n0.271887 0.753524 0.018436 O\n0.750202 0.086712 0.816341 O\n0.249798 0.913288 0.183659 O\n0.766297 0.026557 0.000871 O\n0.233703 0.973443 0.999129 O\n0.990009 0.752550 0.014384 O\n0.009991 0.247450 0.985616 O\n0.748909 0.598028 0.831967 O\n0.251091 0.401972 0.168033 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Cs",
"Si",
"O"
],
"chemical_system": "Cs-O-Si",
"density": 3.914140887440318,
"density_atomic": 0.04753128148661882,
"volume": 1262.3265799574838,
"volume_molar": 12.669847249322268,
"formula_full": "Cs16 Si12 O32",
"formula_reduced": "Cs4Si3O8",
"formula_anonymous": "A3B4C8",
"energy": -405.49304157,
"energy_per_atom": -6.7582173595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -383.50904157,
"band_gap": 3.7265000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.679000Z",
"spacegroup": 2
}
]
}