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{
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{
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{
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{
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{
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C\n0.280263 0.047844 0.158161 C\n0.780263 0.452156 0.841839 C\n0.719737 0.547844 0.341839 C\n0.219737 0.952156 0.658161 C\n0.719737 0.952156 0.841839 C\n0.219737 0.547844 0.158161 C\n0.280263 0.452156 0.658161 C\n0.780263 0.047844 0.341839 C\n0.476859 0.062283 0.243861 C\n0.976859 0.437717 0.756139 C\n0.523141 0.562283 0.256139 C\n0.023141 0.937717 0.743861 C\n0.523141 0.937717 0.756139 C\n0.023141 0.562283 0.243861 C\n0.476859 0.437717 0.743861 C\n0.976859 0.062283 0.256139 C\n0.351190 0.244813 0.219907 C\n0.851190 0.255187 0.780093 C\n0.648810 0.744813 0.280093 C\n0.148810 0.755187 0.719907 C\n0.648810 0.755187 0.780093 C\n0.148810 0.744813 0.219907 C\n0.351190 0.255187 0.719907 C\n0.851190 0.244813 0.280093 C\n0.453405 0.143380 0.072322 N\n0.953405 0.356620 0.927678 N\n0.546595 0.643380 0.427678 N\n0.046595 0.856620 0.572322 N\n0.546595 0.856620 0.927678 N\n0.046595 0.643380 0.072322 N\n0.453405 0.356620 0.572322 N\n0.953405 0.143380 0.427678 N\n",
"nsites": 224,
"nelements": 5,
"elements": [
"Cs",
"Si",
"H",
"C",
"N"
],
"chemical_system": "C-Cs-H-N-Si",
"density": 1.3227902499738784,
"density_atomic": 0.07605053277371687,
"volume": 2945.4100034577878,
"volume_molar": 7.918604302113788,
"formula_full": "Cs8 Si16 H144 C48 N8",
"formula_reduced": "CsSi2H18C6N",
"formula_anonymous": "ABC2D6E18",
"energy": -1155.78073893,
"energy_per_atom": -5.159735441651786,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1152.89273893,
"band_gap": 2.8221,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001206,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.355000Z",
"spacegroup": 61
}
]
}