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0.268668 O\n0.603400 0.261230 0.718509 O\n0.512779 0.716544 0.263815 O\n0.786363 0.259906 0.265455 O\n0.410325 0.744296 0.737684 O\n0.586929 0.755943 0.275386 O\n0.683298 0.275400 0.754756 O\n0.488228 0.760323 0.751124 O\n0.910734 0.243377 0.243403 O\n0.816777 0.237395 0.724166 O\n0.718137 0.724390 0.242128 O\n0.990720 0.256205 0.257868 O\n0.619067 0.712245 0.756170 O\n0.887892 0.279146 0.743233 O\n0.806360 0.722362 0.274999 O\n0.710208 0.721926 0.755342 O\n0.911611 0.719300 0.261967 O\n0.813210 0.739497 0.738861 O\n0.994407 0.741909 0.281667 O\n0.905801 0.739888 0.734253 O\n","nsites":81,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.930094571841251,"density_atomic":0.11926581220721778,"volume":679.155228987725,"volume_molar":5.049343687474211,"formula_full":"Li20 Co21 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0.699273 0.915473 Ce\n0.069224 0.300727 0.915473 Ce\n0.875228 0.335526 0.036810 Se\n0.624772 0.664474 0.036810 Se\n0.624772 0.835526 0.536810 Se\n0.875228 0.164474 0.536810 Se\n0.124772 0.835526 0.463190 Se\n0.375228 0.164474 0.463190 Se\n0.375228 0.335526 0.963190 Se\n0.124772 0.664474 0.963190 Se\n0.953591 0.102556 0.294135 Se\n0.546409 0.897444 0.294135 Se\n0.546409 0.602556 0.794135 Se\n0.953591 0.397444 0.794135 Se\n0.071599 0.379745 0.375002 Se\n0.428401 0.620255 0.375002 Se\n0.428401 0.879745 0.875002 Se\n0.071599 0.120255 0.875002 Se\n0.928401 0.879745 0.124998 Se\n0.571599 0.120255 0.124998 Se\n0.571599 0.379745 0.624998 Se\n0.928401 0.620255 0.624998 Se\n0.046409 0.602556 0.205865 Se\n0.453591 0.397444 0.205865 Se\n0.453591 0.102556 0.705865 Se\n0.046409 0.897444 0.705865 Se\n","nsites":36,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":2.7461209065045713,"density_atomic":0.01664650577312574,"volume":2162.616016276443,"volume_molar":36.176605721797756,"formula_full":"Ce12 Se24","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-205.46707727,"energy_per_atom":-5.707418813055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-194.13907727,"band_gap":0.9142,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0124164,"is_theoretical":true,"updated_at":"2021-11-28T01:37:52.225000Z","spacegroup":60}]}