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0.891035 0.881722 Li\n0.333952 0.391035 0.618278 Li\n0.343808 0.611859 0.130464 Li\n0.343808 0.111859 0.369536 Li\n0.375882 0.879720 0.141657 Li\n0.375882 0.379720 0.358343 Li\n0.387407 0.838356 0.617502 Li\n0.387407 0.338356 0.882498 Li\n0.387011 0.139326 0.106819 Li\n0.387011 0.639326 0.393181 Li\n0.612989 0.360674 0.606819 Li\n0.612989 0.860674 0.893181 Li\n0.612593 0.661644 0.117502 Li\n0.612593 0.161644 0.382498 Li\n0.624118 0.620280 0.641657 Li\n0.624118 0.120280 0.858343 Li\n0.656192 0.888141 0.630464 Li\n0.656192 0.388141 0.869536 Li\n0.666048 0.108965 0.118278 Li\n0.666048 0.608965 0.381722 Li\n0.833952 0.108965 0.618278 Li\n0.833952 0.608965 0.881722 Li\n0.843808 0.388141 0.369536 Li\n0.843808 0.888141 0.130464 Li\n0.875882 0.620280 0.141657 Li\n0.875882 0.120280 0.358343 Li\n0.887407 0.661644 0.617502 Li\n0.887407 0.161644 0.882498 Li\n0.887011 0.360674 0.106819 Li\n0.887011 0.860674 0.393181 Li\n0.094705 0.118257 0.140372 Mn\n0.094705 0.618257 0.359628 Mn\n0.405295 0.118257 0.640372 Mn\n0.405295 0.618257 0.859628 Mn\n0.594705 0.381743 0.140372 Mn\n0.594705 0.881743 0.359628 Mn\n0.905295 0.381743 0.640372 Mn\n0.905295 0.881743 0.859628 Mn\n0.006199 0.480482 0.241212 O\n0.006199 0.980482 0.258788 O\n0.041722 0.251316 0.000374 O\n0.041722 0.751316 0.499626 O\n0.228482 0.996463 0.027624 O\n0.228482 0.496463 0.472376 O\n0.238786 0.239653 0.245742 O\n0.238786 0.739653 0.254258 O\n0.261214 0.239653 0.745742 O\n0.261214 0.739653 0.754258 O\n0.271518 0.996463 0.527624 O\n0.271518 0.496463 0.972376 O\n0.458278 0.251316 0.500374 O\n0.458278 0.751316 0.999626 O\n0.493801 0.480482 0.741212 O\n0.493801 0.980482 0.758788 O\n0.506199 0.019518 0.241212 O\n0.506199 0.519518 0.258788 O\n0.541722 0.248684 0.000374 O\n0.541722 0.748684 0.499626 O\n0.728482 0.503537 0.027624 O\n0.728482 0.003537 0.472376 O\n0.738786 0.260347 0.245742 O\n0.738786 0.760347 0.254258 O\n0.761214 0.260347 0.745742 O\n0.761214 0.760347 0.754258 O\n0.771518 0.503537 0.527624 O\n0.771518 0.003537 0.972376 O\n0.958278 0.748684 0.999626 O\n0.958278 0.248684 0.500374 O\n0.993801 0.019518 0.741212 O\n0.993801 0.519518 0.758788 O\n","nsites":80,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":2.5728045432353466,"density_atomic":0.10084435087268141,"volume":793.3017497529639,"volume_molar":5.971718502708305,"formula_full":"Li40 Mn8 O32","formula_reduced":"Li5MnO4","formula_anonymous":"AB4C5","energy":-472.6077764200001,"energy_per_atom":-5.907597205250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-437.27977642,"band_gap":0.4777,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":32.0018746,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.524000Z","spacegroup":61}]}