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H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n","nsites":32,"nelements":4,"elements":["Cd","H","Se","O"],"chemical_system":"Cd-H-O-Se","density":4.373213841117909,"density_atomic":0.08185764529048069,"volume":390.9225569150511,"volume_molar":7.35684582500484,"formula_full":"Cd4 H8 Se4 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0.536585 0.619861 O\n0.411559 0.846781 0.991253 O\n0.121516 0.704003 0.490249 O\n0.499059 0.331198 0.752534 O\n0.500941 0.668802 0.247467 O\n0.049732 0.127948 0.121057 O\n0.375744 0.040675 0.748949 O\n0.350552 0.229979 0.484585 O\n0.588441 0.153219 0.008748 O\n0.008532 0.646729 0.193728 O\n-0.008531 0.353270 0.806272 O\n0.624256 0.959325 0.251052 O\n","nsites":32,"nelements":3,"elements":["Al","Si","O"],"chemical_system":"Al-O-Si","density":3.073021194477671,"density_atomic":0.09136277098220341,"volume":350.25207374930966,"volume_molar":6.591460280000762,"formula_full":"Al8 Si4 O20","formula_reduced":"Al2SiO5","formula_anonymous":"AB2C5","energy_above_hull":2.3401564624999995,"spacegroup":2},{"id":"jvasp-101371","created_at":"2022-09-04T14:36:31.645453Z","updated_at":"2022-09-04T14:36:31.645473Z","structure_string":"Ta2 P8 S12 Cl10\n1.0\n6.737700 -0.005476 -0.673386\n-2.769641 10.441271 -2.135082\n0.015172 0.036961 11.287070\nTa P S Cl\n2 8 12 10\ndirect\n0.481525 0.736016 0.857718 Ta\n0.518475 0.263983 0.142282 Ta\n0.968481 0.574854 0.283793 P\n0.277020 0.834631 0.456475 P\n0.946706 0.803491 0.511899 P\n0.031519 0.425145 0.716207 P\n0.053293 0.196508 0.488100 P\n0.722979 0.165368 0.543525 P\n0.054296 0.125154 0.773100 P\n0.945703 0.874845 0.226900 P\n0.893169 0.669906 0.149018 S\n0.793414 0.886567 0.383853 S\n0.206586 0.113433 0.616147 S\n0.078949 0.611315 0.791687 S\n0.816024 0.602661 0.436648 S\n0.921051 0.388685 0.208313 S\n0.746207 0.060657 0.682629 S\n0.278517 0.645973 0.359232 S\n0.721483 0.354026 0.640767 S\n0.183975 0.397338 0.563352 S\n0.253792 0.939343 0.317371 S\n0.106831 0.330093 0.850982 S\n0.441278 0.457266 0.134080 Cl\n0.187248 0.136859 0.089525 Cl\n0.558721 0.542733 0.865920 Cl\n0.672738 0.099343 0.171532 Cl\n0.515035 0.693702 0.647776 Cl\n0.414705 0.760375 0.058845 Cl\n0.484964 0.306298 0.352223 Cl\n0.585294 0.239625 0.941155 Cl\n0.327261 0.900656 0.828468 Cl\n0.812751 0.863140 0.910475 Cl\n","nsites":32,"nelements":4,"elements":["Ta","P","S","Cl"],"chemical_system":"Cl-P-S-Ta","density":2.8191632869110355,"density_atomic":0.040272676763673125,"volume":794.5833893232726,"volume_molar":14.953415675195716,"formula_full":"Ta2 P8 S12 Cl10","formula_reduced":"TaP4S6Cl5","formula_anonymous":"AB4C5D6","energy_above_hull":2.3375575960937502,"spacegroup":2}]}