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S42\n1.0\n7.771981 -8.912067 0.000000\n7.771981 8.912067 0.000000\n-2.447411 0.000000 11.568872\nLa Mn S\n18 10 42\ndirect\n0.119681 0.885872 0.750661 La\n0.455843 0.218808 0.079602 La\n0.781881 0.550123 0.413190 La\n0.413190 0.781881 0.550123 La\n0.750661 0.119681 0.885872 La\n0.079602 0.455843 0.218808 La\n0.218808 0.079602 0.455843 La\n0.550123 0.413190 0.781881 La\n0.885872 0.750661 0.119681 La\n0.218163 0.451171 0.586990 La\n0.547656 0.783981 0.923567 La\n0.882254 0.114065 0.250197 La\n0.923567 0.547656 0.783981 La\n0.250197 0.882254 0.114065 La\n0.586990 0.218163 0.451171 La\n0.114065 0.250197 0.882254 La\n0.451171 0.586990 0.218163 La\n0.783981 0.923567 0.547656 La\n0.719510 0.387897 0.053144 Mn\n0.053144 0.719510 0.387897 Mn\n0.387897 0.053144 0.719510 Mn\n0.886869 0.220660 0.553097 Mn\n0.220660 0.553097 0.886869 Mn\n0.553097 0.886869 0.220660 Mn\n0.846466 0.846466 0.846466 Mn\n0.166451 0.166451 0.166451 Mn\n0.666365 0.666365 0.666365 Mn\n0.346369 0.346369 0.346369 Mn\n0.544775 0.393962 0.309844 S\n0.879475 0.736325 0.653971 S\n0.222115 0.075855 0.989039 S\n0.989039 0.222115 0.075855 S\n0.309844 0.544775 0.393962 S\n0.653971 0.879475 0.736325 S\n0.736325 0.653971 0.879475 S\n0.075855 0.989039 0.222115 S\n0.393962 0.309844 0.544775 S\n0.134035 0.277139 0.358738 S\n0.469245 0.615192 0.702218 S\n0.787996 0.938590 0.022155 S\n0.702218 0.469245 0.615192 S\n0.022155 0.787996 0.938590 S\n0.358738 0.134035 0.277139 S\n0.938590 0.022155 0.787996 S\n0.277139 0.358738 0.134035 S\n0.615192 0.702218 0.469245 S\n0.844891 0.515580 0.179252 S\n0.179252 0.844891 0.515580 S\n0.515580 0.179252 0.844891 S\n0.679081 0.015884 0.345272 S\n0.015884 0.345272 0.679081 S\n0.345272 0.679081 0.015884 S\n0.546941 0.449737 0.028108 S\n0.881419 0.781534 0.365421 S\n0.213261 0.112878 0.700781 S\n0.700781 0.213261 0.112878 S\n0.028108 0.546941 0.449737 S\n0.365421 0.881419 0.781534 S\n0.781534 0.365421 0.881419 S\n0.112878 0.700781 0.213261 S\n0.449737 0.028108 0.546941 S\n0.971424 0.071417 0.483596 S\n0.304190 0.401928 0.819594 S\n0.638193 0.735149 0.155340 S\n0.819594 0.304190 0.401928 S\n0.155340 0.638193 0.735149 S\n0.483596 0.971424 0.071417 S\n0.735149 0.155340 0.638193 S\n0.071417 0.483596 0.971424 S\n0.401928 0.819594 0.304190 S\n","nsites":70,"nelements":3,"elements":["La","Mn","S"],"chemical_system":"La-Mn-S","density":4.5552895990826325,"density_atomic":0.04367841349044074,"volume":1602.6223117128527,"volume_molar":13.787453066073423,"formula_full":"La18 Mn10 S42","formula_reduced":"La9Mn5S21","formula_anonymous":"A5B9C21","energy":-475.47806502,"energy_per_atom":-6.7925437859999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-454.35206502,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3681402,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.008000Z","spacegroup":146}]}