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"created_at": "2022-09-04T14:37:29.618067Z",
"updated_at": "2022-09-04T14:37:29.618098Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.314358 0.026154 -0.075948\n-0.146086 9.249223 0.019943\n-3.061878 -3.213344 10.285388\nNb Te Cl\n2 2 18\ndirect\n0.118785 0.255752 0.702397 Nb\n0.881214 0.744248 0.297603 Nb\n0.301379 0.322545 0.168129 Te\n0.698620 0.677455 0.831871 Te\n0.378683 0.143131 0.607293 Cl\n0.621317 0.856868 0.392706 Cl\n0.399737 0.302681 0.917480 Cl\n0.600262 0.697319 0.082519 Cl\n0.877977 0.392893 0.829563 Cl\n0.122022 0.607106 0.170437 Cl\n0.972770 0.035890 0.721216 Cl\n0.027229 0.964110 0.278784 Cl\n0.746541 0.490608 0.294614 Cl\n0.057474 0.804926 0.937793 Cl\n0.849855 0.245383 0.509578 Cl\n0.150144 0.754617 0.490421 Cl\n0.719076 0.639529 0.618759 Cl\n0.280923 0.360471 0.381241 Cl\n0.520374 0.902856 0.834642 Cl\n0.479625 0.097143 0.165358 Cl\n0.253458 0.509392 0.705386 Cl\n0.942526 0.195073 0.062207 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Cl"
],
"chemical_system": "Cl-Nb-Te",
"density": 2.9918881587924497,
"density_atomic": 0.0367307992331362,
"volume": 598.952390345838,
"volume_molar": 16.395343650914096,
"formula_full": "Nb2 Te2 Cl18",
"formula_reduced": "NbTeCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7158967067424241,
"spacegroup": 2
}
]
}