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0.407263 0.250366 Ba\n0.592737 0.993448 0.249634 Ba\n0.400461 0.599539 0.250000 Ba\n0.679464 0.659949 0.499179 Ta\n0.320536 0.340051 0.500821 Ta\n0.340051 0.320536 0.000821 Ta\n0.659949 0.679464 0.999179 Ta\n0.755577 0.999342 0.596956 Ta\n0.245709 0.757634 0.591801 Ta\n0.244423 0.000658 0.403044 Ta\n0.754291 0.242366 0.408199 Ta\n0.999342 0.755577 0.096956 Ta\n0.757634 0.245709 0.091801 Ta\n0.000658 0.244423 0.903044 Ta\n0.242366 0.754291 0.908199 Ta\n0.001652 0.245225 0.591764 Fe\n0.998348 0.754775 0.408236 Fe\n0.245225 0.001652 0.091764 Fe\n0.754775 0.998348 0.908236 Fe\n0.998883 0.213346 0.750798 O\n0.786654 0.001117 0.749202 O\n0.206472 0.793528 0.750000 O\n0.001117 0.786654 0.249202 O\n0.213346 0.998883 0.250798 O\n0.793528 0.206472 0.250000 O\n0.000216 0.801732 0.576621 O\n0.204027 0.997339 0.574734 O\n0.792357 0.204277 0.573620 O\n0.999784 0.198268 0.423379 O\n0.795973 0.002661 0.425266 O\n0.207643 0.795723 0.426380 O\n0.997339 0.204027 0.074734 O\n0.801732 0.000216 0.076621 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Li\n0.528925 0.510668 0.239523 Cu\n0.473697 0.495907 0.754234 Cu\n0.334461 0.342304 0.606249 F\n0.344398 0.338059 0.157040 F\n0.793202 0.215052 0.763047 F\n0.825308 0.195600 0.283577 F\n0.167396 0.800282 0.720786 F\n0.212295 0.801805 0.228105 F\n0.654032 0.668558 0.853941 F\n0.705292 0.688322 0.332051 F\n","nsites":13,"nelements":3,"elements":["Li","Cu","F"],"chemical_system":"Cu-F-Li","density":3.2928424168240302,"density_atomic":0.08595784393507158,"volume":151.23692504222853,"volume_molar":7.0059234670297625,"formula_full":"Li3 Cu2 F8","formula_reduced":"Li3Cu2F8","formula_anonymous":"A2B3C8","energy":-60.11865591,"energy_per_atom":-4.624511993076923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.42265591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.089462,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.515000Z","spacegroup":1}]}