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"created_at": "2022-09-04T14:37:31.638201Z",
"updated_at": "2022-09-04T14:37:31.638227Z",
"structure_string": "Cd8 S2 F12\n1.0\n5.566766 -0.000437 -0.000475\n-0.000849 7.948966 0.000121\n-0.000813 0.000013 7.949052\nCd S F\n8 2 12\ndirect\n0.516206 0.250020 0.485989 Cd\n0.516212 0.250056 0.013991 Cd\n0.016200 0.485990 0.250024 Cd\n0.016201 0.013987 0.250024 Cd\n0.483797 0.749944 0.514008 Cd\n0.483777 0.749945 0.986007 Cd\n0.983803 0.514009 0.749930 Cd\n0.983790 0.986012 0.749966 Cd\n0.250001 0.750015 0.249986 S\n0.749990 0.249982 0.750006 S\n0.278416 0.250089 0.249945 F\n0.778415 0.249933 0.250081 F\n0.749896 0.535953 0.036168 F\n0.750078 0.536072 0.463974 F\n0.749978 0.963916 0.036084 F\n0.250050 0.464019 0.963825 F\n0.249934 0.036139 0.535980 F\n0.249968 0.036108 0.963930 F\n0.250084 0.463974 0.536064 F\n0.221577 0.750075 0.749932 F\n0.750062 0.963839 0.464006 F\n0.721576 0.749920 0.750068 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"S",
"F"
],
"chemical_system": "Cd-F-S",
"density": 5.62441468916518,
"density_atomic": 0.06254516532642007,
"volume": 351.7458125689349,
"volume_molar": 9.62846725013956,
"formula_full": "Cd8 S2 F12",
"formula_reduced": "Cd4SF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 137
}
]
}