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"created_at": "2022-09-04T14:36:07.735863Z",
"updated_at": "2022-09-04T14:36:07.735879Z",
"structure_string": "Te2 C8 Cl4 F12\n1.0\n6.912290 0.032679 -1.330658\n-1.038431 6.833922 -1.330658\n0.041449 0.048454 8.952861\nTe C Cl F\n2 8 4 12\ndirect\n0.428496 0.571504 0.750000 Te\n0.571504 0.428496 0.250000 Te\n0.571088 0.977752 0.702581 C\n0.153764 0.586662 0.817205 C\n0.413337 0.846236 0.682794 C\n0.977753 0.571088 0.202581 C\n0.428912 0.022247 0.297419 C\n0.846237 0.413337 0.182794 C\n0.022247 0.428911 0.797419 C\n0.586663 0.153763 0.317205 C\n0.241069 0.416413 0.475820 Cl\n0.758931 0.583586 0.524179 Cl\n0.583587 0.758931 0.024179 Cl\n0.416413 0.241068 0.975820 Cl\n0.144362 0.567573 0.151672 F\n0.748594 0.959234 0.773936 F\n0.251406 0.040765 0.226063 F\n0.040766 0.251406 0.726063 F\n0.959235 0.748594 0.273937 F\n0.880051 0.237725 0.109360 F\n0.432427 0.855638 0.348328 F\n0.567573 0.144361 0.651671 F\n0.237725 0.880051 0.609360 F\n0.762275 0.119949 0.390639 F\n0.855639 0.432426 0.848328 F\n0.119949 0.762274 0.890639 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Te",
"C",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-Te",
"density": 2.8232926449856466,
"density_atomic": 0.06130524575354564,
"volume": 424.10726325970677,
"volume_molar": 9.823206294955117,
"formula_full": "Te2 C8 Cl4 F12",
"formula_reduced": "TeC4(ClF3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.2416705843589746,
"spacegroup": 15
}
]
}