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0.227582 0.617262 Mn\n0.555033 0.955593 0.258068 Mn\n0.528641 0.269390 0.391085 Mn\n0.141939 0.703757 0.309564 Mn\n0.055033 0.044407 0.241932 Mn\n0.887888 0.772418 0.382738 Mn\n0.358061 0.703757 0.809564 Mn\n0.971359 0.269390 0.891085 Mn\n0.444967 0.044407 0.741932 Mn\n0.471359 0.730610 0.608915 Mn\n0.944967 0.955593 0.758068 Mn\n0.641939 0.296243 0.190436 Mn\n0.858061 0.296243 0.690436 Mn\n0.028641 0.730610 0.108915 Mn\n0.883077 0.441674 0.620887 C\n0.200126 0.788322 0.379695 C\n0.052672 0.886732 0.773694 C\n0.028184 0.431370 0.910845 C\n0.028605 0.228294 0.543419 C\n0.598600 0.572021 0.881192 C\n0.265787 0.604674 0.781574 C\n0.318320 0.224534 0.201154 C\n0.116923 0.558326 0.379113 C\n0.137095 0.647224 0.102604 C\n0.906991 0.783313 0.798998 C\n0.093009 0.216687 0.201002 C\n0.098600 0.427979 0.618808 C\n0.862905 0.352776 0.897396 C\n0.702753 0.739686 0.946972 C\n0.471395 0.228294 0.043419 C\n0.872005 0.971161 0.386654 C\n0.406991 0.216687 0.701002 C\n0.035921 0.799283 0.012235 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C\n0.573684 0.902096 0.167192 C\n0.818320 0.775466 0.298846 C\n0.593009 0.783313 0.298998 C\n0.901400 0.572021 0.381192 C\n0.576065 0.825379 0.614770 C\n0.234213 0.604674 0.281574 C\n0.552672 0.113268 0.726306 C\n0.464079 0.799283 0.512235 C\n0.474739 0.646536 0.735543 S\n0.007465 0.816709 0.299070 S\n0.025261 0.646536 0.235543 S\n0.819399 0.092077 0.773806 S\n0.507465 0.183291 0.200930 S\n0.180601 0.907923 0.226194 S\n0.492535 0.816709 0.799070 S\n0.525261 0.353464 0.264457 S\n0.974739 0.353464 0.764457 S\n0.992535 0.183291 0.700930 S\n0.319399 0.907923 0.726194 S\n0.680601 0.092077 0.273806 S\n0.401692 0.943260 0.637372 S\n0.901692 0.056740 0.862628 S\n0.098308 0.943260 0.137372 S\n0.598308 0.056740 0.362628 S\n0.959532 0.154752 0.048538 O\n0.796020 0.401509 0.904262 O\n0.613014 0.670543 0.325596 O\n0.409920 0.132323 0.890291 O\n0.525918 0.227473 0.001521 O\n0.909920 0.867677 0.609709 O\n0.906709 0.449921 0.381989 O\n0.641099 0.883333 0.614454 O\n0.264483 0.837355 0.926744 O\n0.566580 0.469153 0.575829 O\n0.358901 0.116667 0.385546 O\n0.379350 0.840095 0.285235 O\n0.277897 0.225362 0.253305 O\n0.222103 0.225362 0.753305 O\n0.759938 0.719650 0.986217 O\n0.974082 0.227473 0.501521 O\n0.296020 0.598491 0.595738 O\n0.386986 0.329457 0.674404 O\n0.722103 0.774638 0.746695 O\n0.764483 0.162645 0.573256 O\n0.040468 0.845248 0.951462 O\n0.459532 0.845248 0.451462 O\n0.707138 0.460589 0.734858 O\n0.620650 0.159905 0.714765 O\n0.792862 0.460589 0.234858 O\n0.093291 0.550079 0.618011 O\n0.105090 0.467423 0.426083 O\n0.406709 0.550079 0.118011 O\n0.292862 0.539411 0.265142 O\n0.894910 0.532577 0.573917 O\n0.359895 0.910019 0.107069 O\n0.777897 0.774638 0.246695 O\n0.141099 0.116667 0.885546 O\n0.590080 0.867677 0.109709 O\n0.066580 0.530847 0.924171 O\n0.640105 0.089981 0.892931 O\n0.259938 0.280350 0.513783 O\n0.474082 0.772527 0.998479 O\n0.433420 0.530847 0.424171 O\n0.113014 0.329457 0.174404 O\n0.879350 0.159905 0.214765 O\n0.240062 0.280350 0.013783 O\n0.203980 0.598491 0.095738 O\n0.886986 0.670543 0.825596 O\n0.859895 0.089981 0.392931 O\n0.933420 0.469153 0.075829 O\n0.090080 0.132323 0.390291 O\n0.703980 0.401509 0.404262 O\n0.540468 0.154752 0.548538 O\n0.735517 0.162645 0.073256 O\n0.394910 0.467423 0.926083 O\n0.140105 0.910019 0.607069 O\n0.207138 0.539411 0.765142 O\n0.235517 0.837355 0.426744 O\n0.025918 0.772527 0.498479 O\n0.593291 0.449921 0.881989 O\n0.740062 0.719650 0.486217 O\n0.120650 0.840095 0.785235 O\n0.605090 0.532577 0.073917 O\n0.858901 0.883333 0.114454 O\n","nsites":152,"nelements":4,"elements":["Mn","C","S","O"],"chemical_system":"C-Mn-O-S","density":1.882967139007817,"density_atomic":0.05609491197711579,"volume":2709.693172564549,"volume_molar":10.73562743525966,"formula_full":"Mn16 C60 S16 O60","formula_reduced":"Mn4C15S4O15","formula_anonymous":"A4B4C15D15","energy":-1174.21008829,"energy_per_atom":-7.725066370328947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1098.25408829,"band_gap":1.9026,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1097215,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.699000Z","spacegroup":14},{"id":"mp-1199155","created_at":"2022-09-04T14:40:57.925786Z","structure_string":"Mn8 Se8 O30\n1.0\n0.000000 -8.431673 0.000000\n-8.297012 0.000000 4.106263\n0.147418 0.000000 -9.540819\nMn Se O\n8 8 30\ndirect\n0.973796 0.318669 0.013434 Mn\n0.473796 0.681331 0.986566 Mn\n0.369639 0.334676 0.016387 Mn\n0.869639 0.665324 0.983613 Mn\n0.970524 0.046636 0.336319 Mn\n0.470524 0.953364 0.663681 Mn\n0.375645 0.043979 0.357669 Mn\n0.875645 0.956021 0.642331 Mn\n0.177855 0.251442 0.673097 Se\n0.677855 0.748558 0.326903 Se\n0.180062 0.380231 0.358179 Se\n0.680062 0.619769 0.641821 Se\n0.666209 0.316184 0.749969 Se\n0.166209 0.683816 0.250031 Se\n0.796269 0.043626 0.022167 Se\n0.296269 0.956374 0.977833 Se\n0.176506 0.278709 0.865983 O\n0.676506 0.721291 0.134017 O\n0.184316 0.321680 0.149508 O\n0.684316 0.678320 0.850492 O\n0.840163 0.241390 0.152690 O\n0.340163 0.758610 0.847310 O\n0.925602 0.046478 0.877249 O\n0.425602 0.953522 0.122751 O\n0.805954 0.397207 0.898553 O\n0.305954 0.602793 0.101447 O\n0.490028 0.392583 0.856159 O\n0.990028 0.607417 0.143841 O\n0.910539 0.933581 0.097437 O\n0.410539 0.066419 0.902563 O\n0.176357 0.182884 0.350538 O\n0.676357 0.817116 0.649462 O\n0.318168 0.093836 0.589727 O\n0.818168 0.906164 0.410273 O\n0.162851 0.886003 0.282022 O\n0.662851 0.113997 0.717978 O\n0.002142 0.144886 0.605651 O\n0.502142 0.855114 0.394349 O\n0.366317 0.439072 0.409639 O\n0.866317 0.560928 0.590361 O\n0.521396 0.379649 0.153095 O\n0.021396 0.620351 0.846905 O\n0.839964 0.208689 0.380077 O\n0.339964 0.791311 0.619923 O\n0.520498 0.195512 0.420039 O\n0.020498 0.804488 0.579961 O\n","nsites":46,"nelements":3,"elements":["Mn","Se","O"],"chemical_system":"Mn-O-Se","density":3.8888406583051234,"density_atomic":0.06944972097631184,"volume":662.3496733081165,"volume_molar":8.671223836959767,"formula_full":"Mn8 Se8 O30","formula_reduced":"Mn4Se4O15","formula_anonymous":"A4B4C15","energy":-311.98333416,"energy_per_atom":-6.782246394782609,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-278.02933416,"band_gap":0.417,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":28.0000518,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.228000Z","spacegroup":4}]}