{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=33","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=31","results":[{"id":"mp-1312705","created_at":"2022-09-04T14:45:06.321109Z","structure_string":"Li6 Mn4 Si4 O16\n1.0\n0.155189 -0.042817 6.592398\n5.601776 5.250265 0.101319\n-4.973068 5.159595 -0.152445\nLi Mn Si O\n6 4 4 16\ndirect\n0.996307 0.492297 0.810128 Li\n0.995194 0.991661 0.309964 Li\n0.754680 0.191730 0.000011 Li\n0.754726 0.691844 0.500072 Li\n0.247595 0.811142 0.001627 Li\n0.247854 0.312085 0.501664 Li\n0.266285 0.689880 0.501639 Mn\n0.733093 0.821013 0.980382 Mn\n0.266066 0.189389 0.002033 Mn\n0.733648 0.320935 0.480943 Mn\n0.003315 0.498704 0.176944 Si\n0.004742 0.998694 0.677327 Si\n0.499623 0.494653 0.832894 Si\n0.498843 0.994541 0.332663 Si\n0.211526 0.496211 0.304087 O\n0.213617 0.995643 0.803557 O\n0.813935 0.497827 0.321900 O\n0.815986 0.998042 0.822981 O\n0.995057 0.332302 0.030027 O\n0.995133 0.832604 0.530077 O\n0.977517 0.674621 0.038369 O\n0.978660 0.174984 0.539116 O\n0.517754 0.322136 0.958576 O\n0.518070 0.822983 0.459788 O\n0.507200 0.677452 0.962865 O\n0.506843 0.178291 0.460852 O\n0.279723 0.500602 0.712882 O\n0.278648 0.999358 0.212935 O\n0.694817 0.499463 0.689923 O\n0.693542 0.998911 0.189170 O\n","nsites":30,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.8850973671859714,"density_atomic":0.0827709325669252,"volume":362.4460794342654,"volume_molar":7.27567102754429,"formula_full":"Li6 Mn4 Si4 O16","formula_reduced":"Li3Mn2(SiO4)2","formula_anonymous":"A2B2C3D8","energy":-226.68879399,"energy_per_atom":-7.556293133,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.02479399,"band_gap":0.3596000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.636000Z","spacegroup":1},{"id":"mp-696315","created_at":"2022-09-04T14:45:25.736891Z","structure_string":"Na8 H8 N8 O16\n1.0\n6.358691 0.000000 0.000000\n0.000000 6.808393 0.000000\n0.000000 0.000000 9.887124\nNa H N O\n8 8 8 16\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.341163 0.500000 0.750000 Na\n0.658837 0.000000 0.250000 Na\n0.658837 0.500000 0.250000 Na\n0.341163 0.000000 0.750000 Na\n0.838445 0.606487 0.724124 H\n0.161555 0.106487 0.275876 H\n0.838445 0.393513 0.775876 H\n0.161555 0.893513 0.224124 H\n0.161555 0.393513 0.275876 H\n0.838445 0.893513 0.724124 H\n0.161555 0.606487 0.224124 H\n0.838445 0.106487 0.775876 H\n0.579300 0.750000 0.524928 N\n0.420700 0.250000 0.475072 N\n0.579300 0.250000 0.975072 N\n0.420700 0.750000 0.024928 N\n0.389830 0.750000 0.475487 N\n0.610170 0.250000 0.524513 N\n0.389830 0.250000 0.024513 N\n0.610170 0.750000 0.975487 N\n0.739271 0.750000 0.439883 O\n0.260729 0.250000 0.560117 O\n0.739271 0.250000 0.060117 O\n0.260729 0.750000 0.939883 O\n0.618199 0.750000 0.656983 O\n0.381801 0.250000 0.343017 O\n0.618199 0.250000 0.843017 O\n0.381801 0.750000 0.156983 O\n0.240775 0.750000 0.571561 O\n0.759225 0.250000 0.428439 O\n0.240775 0.250000 0.928439 O\n0.759225 0.750000 0.071561 O\n0.937110 0.500000 0.750000 O\n0.062890 0.000000 0.250000 O\n0.062890 0.500000 0.250000 O\n0.937110 0.000000 0.750000 O\n","nsites":40,"nelements":4,"elements":["Na","H","N","O"],"chemical_system":"H-N-Na-O","density":2.1725746940499153,"density_atomic":0.09344964865376469,"volume":428.0379923974018,"volume_molar":6.444262602112409,"formula_full":"Na8 H8 N8 O16","formula_reduced":"NaHNO2","formula_anonymous":"ABCD2","energy":-228.46967864,"energy_per_atom":-5.711741966,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.47767864,"band_gap":2.9794,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:00.602000Z","spacegroup":57},{"id":"mp-755536","created_at":"2022-09-04T14:45:25.862822Z","structure_string":"Rb4 Fe4 O8\n1.0\n-0.000005 5.931971 0.000010\n0.000002 0.000014 8.120472\n5.961922 -0.000005 0.000002\nRb Fe O\n4 4 8\ndirect\n0.014176 0.622316 0.063509 Rb\n0.514179 0.122315 0.436490 Rb\n0.014176 0.877685 0.563486 Rb\n0.514177 0.377685 0.936514 Rb\n0.000787 0.373679 0.546936 Fe\n0.500786 0.873679 0.953062 Fe\n0.000789 0.126322 0.046926 Fe\n0.500789 0.626320 0.453077 Fe\n0.702947 0.048797 0.007066 O\n0.202948 0.548797 0.492934 O\n0.702909 0.451221 0.507067 O\n0.202910 0.951221 0.992933 O\n0.542225 0.694262 0.151626 O\n0.042225 0.194261 0.348374 O\n0.542229 0.805720 0.651588 O\n0.042230 0.305721 0.848412 O\n","nsites":16,"nelements":3,"elements":["Rb","Fe","O"],"chemical_system":"Fe-O-Rb","density":4.008391552386638,"density_atomic":0.05571259663636874,"volume":287.1881938016748,"volume_molar":10.809298298024032,"formula_full":"Rb4 Fe4 O8","formula_reduced":"RbFeO2","formula_anonymous":"ABC2","energy":-105.74189504,"energy_per_atom":-6.60886844,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.22189504,"band_gap":1.8335000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.849000Z","spacegroup":33},{"id":"mp-30995","created_at":"2022-09-04T14:45:02.362723Z","structure_string":"Fe8 Te16 O44\n1.0\n7.055230 0.000000 0.000000\n0.000000 11.961600 0.000000\n0.000000 7.802153 12.072593\nFe Te O\n8 16 44\ndirect\n0.752215 0.885670 0.370748 Fe\n0.252215 0.114330 0.129252 Fe\n0.247785 0.114330 0.629252 Fe\n0.747785 0.885670 0.870748 Fe\n0.454171 0.713979 0.597513 Fe\n0.954171 0.286021 0.902487 Fe\n0.545829 0.286021 0.402487 Fe\n0.045829 0.713979 0.097513 Fe\n0.796715 0.626420 0.361944 Te\n0.203748 0.773436 0.835756 Te\n0.296252 0.773436 0.335756 Te\n0.796252 0.226564 0.164244 Te\n0.703748 0.226564 0.664244 Te\n0.296715 0.373580 0.138056 Te\n0.203285 0.373580 0.638056 Te\n0.703285 0.626420 0.861944 Te\n0.894093 0.599673 0.647490 Te\n0.394093 0.400327 0.852510 Te\n0.105907 0.400327 0.352510 Te\n0.605907 0.599673 0.147490 Te\n0.744040 0.000253 0.020391 Te\n0.244040 0.999747 0.479609 Te\n0.255960 0.999747 0.979609 Te\n0.755960 0.000253 0.520391 Te\n0.956597 0.468706 0.608732 O\n0.456597 0.531294 0.891268 O\n0.043403 0.531294 0.391268 O\n0.543403 0.468706 0.108732 O\n0.712745 0.279050 0.514768 O\n0.212745 0.720950 0.985232 O\n0.287255 0.720950 0.485232 O\n0.787255 0.279050 0.014768 O\n0.776390 0.167292 0.884271 O\n0.276390 0.832708 0.615729 O\n0.223610 0.832708 0.115729 O\n0.723610 0.167292 0.384271 O\n0.820763 0.457003 0.792721 O\n0.320763 0.542997 0.707279 O\n0.179237 0.542997 0.207279 O\n0.679237 0.457003 0.292721 O\n0.742565 0.042879 0.726553 O\n0.179659 0.290941 0.796721 O\n0.320341 0.290941 0.296721 O\n0.820341 0.709059 0.203279 O\n0.670147 0.631961 0.562927 O\n0.170147 0.368039 0.937073 O\n0.329853 0.368039 0.437073 O\n0.829853 0.631961 0.062927 O\n0.574770 0.907094 0.472240 O\n0.074770 0.092906 0.027760 O\n0.425230 0.092906 0.527760 O\n0.925230 0.907094 0.972240 O\n0.933153 0.930857 0.458645 O\n0.433153 0.069143 0.041355 O\n0.066847 0.069143 0.541355 O\n0.566847 0.930857 0.958645 O\n0.935201 0.759990 0.368739 O\n0.435201 0.240010 0.131261 O\n0.064799 0.240010 0.631261 O\n0.564799 0.759990 0.868739 O\n0.574737 0.791055 0.324380 O\n0.074737 0.208945 0.175620 O\n0.425263 0.208945 0.675620 O\n0.925263 0.791055 0.824380 O\n0.757435 0.042879 0.226553 O\n0.257435 0.957121 0.273447 O\n0.242565 0.957121 0.773447 O\n0.679659 0.709059 0.703279 O\n","nsites":68,"nelements":3,"elements":["Fe","Te","O"],"chemical_system":"Fe-O-Te","density":5.203030301568633,"density_atomic":0.06674333468308387,"volume":1018.8283267967226,"volume_molar":9.022834697419329,"formula_full":"Fe8 Te16 O44","formula_reduced":"Fe2Te4O11","formula_anonymous":"A2B4C11","energy":-441.38914811,"energy_per_atom":-6.491016883970588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-393.11314811,"band_gap":1.4736999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.699000Z","spacegroup":14},{"id":"mp-1229049","created_at":"2022-09-04T14:45:10.149951Z","structure_string":"As4 Br4 O4 F32\n1.0\n8.880048 0.000000 0.000000\n0.000000 8.860144 0.000000\n0.000000 0.061491 8.886320\nAs Br O F\n4 4 4 32\ndirect\n0.635032 0.886014 0.636031 As\n0.864897 0.614680 0.134510 As\n0.364897 0.385320 0.865490 As\n0.135032 0.113986 0.363969 As\n0.779616 0.454095 0.696163 Br\n0.196313 0.970374 0.795800 Br\n0.696313 0.029626 0.204200 Br\n0.279616 0.545905 0.303837 Br\n0.715286 0.381165 0.547130 O\n0.047097 0.034606 0.869215 O\n0.547097 0.965394 0.130785 O\n0.215286 0.618835 0.452870 O\n0.641217 0.680917 0.620691 F\n0.880864 0.613506 0.934395 F\n0.569721 0.370013 0.859058 F\n0.361051 0.179365 0.878232 F\n0.122317 0.109696 0.568812 F\n0.434872 0.869448 0.637665 F\n0.861051 0.820635 0.121768 F\n0.622317 0.890304 0.431188 F\n0.934872 0.130552 0.362335 F\n0.141217 0.319083 0.379309 F\n0.380864 0.386494 0.065605 F\n0.069721 0.629987 0.140942 F\n0.622067 0.082623 0.638551 F\n0.861507 0.628606 0.330962 F\n0.168845 0.388391 0.877990 F\n0.379479 0.581613 0.859110 F\n0.140271 0.129343 0.168090 F\n0.831334 0.889190 0.621212 F\n0.879479 0.418387 0.140890 F\n0.640271 0.870657 0.831910 F\n0.331334 0.110810 0.378788 F\n0.122067 0.917377 0.361449 F\n0.361507 0.371394 0.669038 F\n0.668845 0.611609 0.122010 F\n0.954967 0.530649 0.635720 F\n0.873441 0.300000 0.784647 F\n0.284029 0.876093 0.949578 F\n0.135776 0.795187 0.720010 F\n0.784029 0.123907 0.050422 F\n0.635776 0.204813 0.279990 F\n0.454967 0.469351 0.364280 F\n0.373441 0.700000 0.215353 F\n","nsites":44,"nelements":4,"elements":["As","Br","O","F"],"chemical_system":"As-Br-F-O","density":3.0667686911959,"density_atomic":0.06293244928898846,"volume":699.1623637267023,"volume_molar":9.569214019219363,"formula_full":"As4 Br4 O4 F32","formula_reduced":"AsBrOF8","formula_anonymous":"ABCD8","energy":-186.82686838,"energy_per_atom":-4.246065190454545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.29486838,"band_gap":3.1609000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.425000Z","spacegroup":4},{"id":"mp-976876","created_at":"2022-09-04T14:45:20.272604Z","structure_string":"K2 Pt1 C2\n1.0\n2.590925 -4.487614 0.000000\n2.590925 4.487614 0.000000\n0.000000 0.000000 5.243604\nK Pt C\n2 1 2\ndirect\n0.333333 0.666667 0.275457 K\n0.666667 0.333333 0.724543 K\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.378221 C\n0.000000 0.000000 0.621779 C\n","nsites":5,"nelements":3,"elements":["K","Pt","C"],"chemical_system":"C-K-Pt","density":4.048710376380808,"density_atomic":0.0410052804748432,"volume":121.93551518486765,"volume_molar":14.68625672172781,"formula_full":"K2 Pt1 C2","formula_reduced":"K2PtC2","formula_anonymous":"AB2C2","energy":-27.202706220000003,"energy_per_atom":-5.440541244,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.202706220000003,"band_gap":0.9937999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:01.618000Z","spacegroup":164},{"id":"mp-684106","created_at":"2022-09-04T14:45:15.281792Z","structure_string":"Li4 Sb4 P8 O28\n1.0\n8.696206 0.000000 0.000000\n0.000000 7.167252 0.000000\n0.000000 3.240019 9.363756\nLi Sb P O\n4 4 8 28\ndirect\n0.040141 0.299545 0.215131 Li\n0.459859 0.299545 0.715131 Li\n0.959859 0.700455 0.784869 Li\n0.540141 0.700455 0.284869 Li\n0.508844 0.745996 0.750413 Sb\n0.491156 0.254004 0.249587 Sb\n0.008844 0.254004 0.749587 Sb\n0.991156 0.745996 0.250413 Sb\n0.757916 0.901272 0.967050 P\n0.742084 0.901272 0.467050 P\n0.779468 0.347755 0.442077 P\n0.242084 0.098728 0.032950 P\n0.279468 0.652245 0.057923 P\n0.220532 0.652245 0.557923 P\n0.720532 0.347755 0.942077 P\n0.257916 0.098728 0.532950 P\n0.128008 0.551576 0.117236 O\n0.257522 0.177107 0.369295 O\n0.721237 0.137555 0.913916 O\n0.091502 0.124080 0.103467 O\n0.742478 0.822893 0.630705 O\n0.919257 0.449364 0.346028 O\n0.757522 0.822893 0.130705 O\n0.615097 0.820323 0.912321 O\n0.302374 0.684200 0.900087 O\n0.908498 0.875920 0.896533 O\n0.802374 0.315800 0.599913 O\n0.384903 0.179677 0.087679 O\n0.628008 0.448424 0.382764 O\n0.580742 0.449364 0.846028 O\n0.408498 0.124080 0.603467 O\n0.115097 0.179677 0.587679 O\n0.871992 0.448424 0.882764 O\n0.197626 0.684200 0.400087 O\n0.278763 0.862445 0.086084 O\n0.419257 0.550636 0.153972 O\n0.884903 0.820323 0.412321 O\n0.371992 0.551576 0.617236 O\n0.242478 0.177107 0.869295 O\n0.591502 0.875920 0.396533 O\n0.697626 0.315800 0.099913 O\n0.080743 0.550636 0.653972 O\n0.778763 0.137555 0.413916 O\n0.221237 0.862445 0.586084 O\n","nsites":44,"nelements":4,"elements":["Li","Sb","P","O"],"chemical_system":"Li-O-P-Sb","density":3.4443639906554724,"density_atomic":0.0753911025482434,"volume":583.6232461495576,"volume_molar":7.987866679819919,"formula_full":"Li4 Sb4 P8 O28","formula_reduced":"LiSbP2O7","formula_anonymous":"ABC2D7","energy":-314.66281282,"energy_per_atom":-7.151427564090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.42681282,"band_gap":3.7616,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.858000Z","spacegroup":14},{"id":"mp-752697","created_at":"2022-09-04T14:45:20.913366Z","structure_string":"Li4 Fe4 P8 O28\n1.0\n-2.373886 4.247840 5.077823\n-7.141172 -6.179026 0.745270\n6.422485 -2.245198 5.498791\nLi Fe P O\n4 4 8 28\ndirect\n0.000004 0.999996 0.999985 Li\n0.500008 0.500005 0.499997 Li\n0.749983 0.749981 0.249958 Li\n0.250040 0.250032 0.750045 Li\n0.921480 0.230405 0.464087 Fe\n0.078490 0.769590 0.535886 Fe\n0.421433 0.730365 0.964097 Fe\n0.578564 0.269626 0.035931 Fe\n0.586241 0.021543 0.241478 P\n0.086227 0.521552 0.741528 P\n0.913781 0.478447 0.258462 P\n0.413760 0.978449 0.758526 P\n0.177967 0.948499 0.261247 P\n0.677967 0.448537 0.761284 P\n0.322042 0.551466 0.238723 P\n0.822018 0.051502 0.738744 P\n0.556539 0.149933 0.181671 O\n0.056515 0.649940 0.681711 O\n0.943484 0.350063 0.318285 O\n0.443456 0.850075 0.818346 O\n0.637244 0.873116 0.107634 O\n0.137209 0.373141 0.607657 O\n0.862797 0.626862 0.392336 O\n0.362767 0.126882 0.892366 O\n0.594949 0.599961 0.791815 O\n0.094952 0.099961 0.291833 O\n0.905042 0.900046 0.708164 O\n0.405048 0.400033 0.208190 O\n0.195798 0.869063 0.075671 O\n0.695835 0.369096 0.575696 O\n0.304160 0.630909 0.424310 O\n0.804198 0.130933 0.924324 O\n0.390767 0.982580 0.330585 O\n0.890759 0.482620 0.830641 O\n0.109249 0.517387 0.169353 O\n0.609226 0.017407 0.669415 O\n0.230973 0.560172 0.874866 O\n0.730991 0.060201 0.374864 O\n0.269004 0.939783 0.625146 O\n0.769031 0.439828 0.125124 O\n0.435547 0.649319 0.153047 O\n0.935516 0.149370 0.653059 O\n0.064469 0.850637 0.346948 O\n0.564468 0.350683 0.846963 O\n","nsites":44,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.8759023966943604,"density_atomic":0.08047586853240832,"volume":546.747749386275,"volume_molar":7.483163425039436,"formula_full":"Li4 Fe4 P8 O28","formula_reduced":"LiFeP2O7","formula_anonymous":"ABC2D7","energy":-331.26239054,"energy_per_atom":-7.528690694090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.00239054,"band_gap":2.746,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.376000Z","spacegroup":2},{"id":"mp-706489","created_at":"2022-09-04T14:45:15.178505Z","structure_string":"Na16 B32 H16 O64\n1.0\n8.782308 0.000000 0.000000\n0.000000 10.575986 0.000000\n0.000000 0.000000 14.376695\nNa B H O\n16 32 16 64\ndirect\n0.418195 0.528398 0.188486 Na\n0.918195 0.971602 0.811514 Na\n0.581805 0.028398 0.311514 Na\n0.081805 0.471602 0.688486 Na\n0.581805 0.471602 0.811514 Na\n0.081805 0.028398 0.188486 Na\n0.418195 0.971602 0.688486 Na\n0.918195 0.528398 0.311514 Na\n0.265026 0.474401 0.430074 Na\n0.765026 0.025599 0.569926 Na\n0.734974 0.974401 0.069926 Na\n0.234974 0.525599 0.930074 Na\n0.734974 0.525599 0.569926 Na\n0.234974 0.974401 0.430074 Na\n0.265026 0.025599 0.930074 Na\n0.765026 0.474401 0.069926 Na\n0.079886 0.264114 0.337029 B\n0.579886 0.235886 0.662971 B\n0.920114 0.764114 0.162971 B\n0.420114 0.735886 0.837029 B\n0.920114 0.735886 0.662971 B\n0.420114 0.764114 0.337029 B\n0.079886 0.235886 0.837029 B\n0.579886 0.264114 0.162971 B\n0.900877 0.106885 0.385568 B\n0.400877 0.393115 0.614432 B\n0.099123 0.606885 0.114432 B\n0.599123 0.893115 0.885568 B\n0.099123 0.893115 0.614432 B\n0.599123 0.606885 0.385568 B\n0.900877 0.393115 0.885568 B\n0.400877 0.106885 0.114432 B\n0.829548 0.257697 0.260184 B\n0.329548 0.242303 0.739816 B\n0.170452 0.757697 0.239816 B\n0.670452 0.742303 0.760184 B\n0.170452 0.742303 0.739816 B\n0.670452 0.757697 0.260184 B\n0.829548 0.242303 0.760184 B\n0.329548 0.257697 0.239816 B\n0.952878 0.288861 0.489573 B\n0.452878 0.211139 0.510427 B\n0.047122 0.788861 0.010427 B\n0.547122 0.711139 0.989573 B\n0.047122 0.711139 0.510427 B\n0.547122 0.788861 0.489573 B\n0.952878 0.211139 0.989573 B\n0.452878 0.288861 0.010427 B\n0.933203 0.919903 0.419095 H\n0.433203 0.580097 0.580905 H\n0.066797 0.419903 0.080905 H\n0.566797 0.080097 0.919095 H\n0.066797 0.080097 0.580905 H\n0.566797 0.419903 0.419095 H\n0.933203 0.580097 0.919095 H\n0.433203 0.919903 0.080905 H\n0.849619 0.298814 0.608279 H\n0.349619 0.201186 0.391721 H\n0.150381 0.798814 0.891721 H\n0.650381 0.701186 0.108279 H\n0.150381 0.701186 0.391721 H\n0.650381 0.798814 0.608279 H\n0.849619 0.201186 0.108279 H\n0.349619 0.298814 0.891721 H\n0.970816 0.314374 0.266205 O\n0.470816 0.185626 0.733795 O\n0.029184 0.814374 0.233795 O\n0.529184 0.685626 0.766205 O\n0.029184 0.685626 0.733795 O\n0.529184 0.814374 0.266205 O\n0.970816 0.185626 0.766205 O\n0.470816 0.314374 0.233795 O\n0.238598 0.297173 0.313402 O\n0.738598 0.202827 0.686598 O\n0.761402 0.797173 0.186598 O\n0.261402 0.702827 0.813402 O\n0.761402 0.702827 0.686598 O\n0.261402 0.797173 0.313402 O\n0.238598 0.202827 0.813402 O\n0.738598 0.297173 0.186598 O\n0.056689 0.127073 0.350157 O\n0.556689 0.372927 0.649843 O\n0.943311 0.627073 0.149843 O\n0.443311 0.872927 0.850157 O\n0.943311 0.872927 0.649843 O\n0.443311 0.627073 0.350157 O\n0.056689 0.372927 0.850157 O\n0.556689 0.127073 0.149843 O\n0.048935 0.339370 0.425275 O\n0.548935 0.160630 0.574725 O\n0.951065 0.839370 0.074725 O\n0.451065 0.660630 0.925275 O\n0.951065 0.660630 0.574725 O\n0.451065 0.839370 0.425275 O\n0.048935 0.160630 0.925275 O\n0.548935 0.339370 0.074725 O\n0.787223 0.161588 0.318515 O\n0.287223 0.338412 0.681485 O\n0.212777 0.661588 0.181485 O\n0.712777 0.838412 0.818515 O\n0.212777 0.838412 0.681485 O\n0.712777 0.661588 0.318515 O\n0.787223 0.338412 0.818515 O\n0.287223 0.161588 0.181485 O\n0.886506 0.172698 0.478654 O\n0.386506 0.327302 0.521346 O\n0.113494 0.672698 0.021346 O\n0.613494 0.827302 0.978654 O\n0.113494 0.827302 0.521346 O\n0.613494 0.672698 0.478654 O\n0.886506 0.327302 0.978654 O\n0.386506 0.172698 0.021346 O\n0.851661 0.976372 0.399811 O\n0.351661 0.523628 0.600189 O\n0.148339 0.476372 0.100189 O\n0.648339 0.023628 0.899811 O\n0.148339 0.023628 0.600189 O\n0.648339 0.476372 0.399811 O\n0.851661 0.523628 0.899811 O\n0.351661 0.976372 0.100189 O\n0.918573 0.355093 0.571908 O\n0.418573 0.144907 0.428092 O\n0.081427 0.855093 0.928092 O\n0.581427 0.644907 0.071908 O\n0.081427 0.644907 0.428092 O\n0.581427 0.855093 0.571908 O\n0.918573 0.144907 0.071908 O\n0.418573 0.355093 0.928092 O\n","nsites":128,"nelements":4,"elements":["Na","B","H","O"],"chemical_system":"B-H-Na-O","density":2.181019894354055,"density_atomic":0.09585645840037658,"volume":1335.3299520556575,"volume_molar":6.282456978377517,"formula_full":"Na16 B32 H16 O64","formula_reduced":"NaB2HO4","formula_anonymous":"ABC2D4","energy":-921.38889509,"energy_per_atom":-7.198350742890625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-877.42089509,"band_gap":5.126,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.613000Z","spacegroup":61},{"id":"mp-6227","created_at":"2022-09-04T14:45:25.494099Z","structure_string":"Ca4 Zn2 Si4 O14\n1.0\n7.906142 0.000000 0.000000\n0.000000 7.906142 0.000000\n0.000000 0.000000 5.059386\nCa Zn Si O\n4 2 4 14\ndirect\n0.169769 0.330231 0.498262 Ca\n0.330231 0.830231 0.501738 Ca\n0.669769 0.169769 0.501738 Ca\n0.830231 0.669769 0.498262 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.140723 0.640723 0.933982 Si\n0.359277 0.140723 0.066018 Si\n0.859277 0.359277 0.933982 Si\n0.640723 0.859277 0.066018 Si\n0.685891 0.417536 0.778968 O\n0.314109 0.582464 0.778968 O\n0.417536 0.314109 0.221032 O\n0.582464 0.685891 0.221032 O\n0.917536 0.185891 0.778968 O\n0.814109 0.917536 0.221032 O\n0.185891 0.082464 0.221032 O\n0.082464 0.814109 0.778968 O\n0.857795 0.357795 0.252668 O\n0.642205 0.857795 0.747332 O\n0.500000 0.000000 0.183876 O\n0.000000 0.500000 0.816124 O\n0.142205 0.642205 0.252668 O\n0.357795 0.142205 0.747332 O\n","nsites":24,"nelements":4,"elements":["Ca","Zn","Si","O"],"chemical_system":"Ca-O-Si-Zn","density":3.2946599682566857,"density_atomic":0.07588993946562823,"volume":316.2474521523368,"volume_molar":7.935361132719738,"formula_full":"Ca4 Zn2 Si4 O14","formula_reduced":"Ca2ZnSi2O7","formula_anonymous":"AB2C2D7","energy":-177.26858145,"energy_per_atom":-7.38619089375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.65058145,"band_gap":4.0553,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:58.680000Z","spacegroup":113},{"id":"mp-738707","created_at":"2022-09-04T14:44:59.127454Z","structure_string":"Si4 P4 H72 C24 I4 N4 Cl4\n1.0\n-5.084599 7.720018 9.505586\n5.084599 -7.720018 9.505586\n5.084599 7.720018 -9.505586\nSi P H C I N Cl\n4 4 72 24 4 4 4\ndirect\n0.418890 0.270319 0.505825 Si\n0.581110 0.086935 0.851429 Si\n0.764494 0.770319 0.351429 Si\n0.235506 0.586935 0.005825 Si\n0.286578 0.412454 0.410333 P\n0.713422 0.123755 0.125876 P\n0.002121 0.912454 0.625876 P\n0.997879 0.623755 0.910333 P\n0.092869 0.289681 0.242105 H\n0.907131 0.149236 0.196812 H\n0.047576 0.789681 0.696812 H\n0.952424 0.649236 0.742105 H\n0.166744 0.160362 0.209715 H\n0.833256 0.042971 0.993619 H\n0.950648 0.660362 0.493619 H\n0.049352 0.542971 0.709715 H\n0.134965 0.282165 0.378804 H\n0.865035 0.243839 0.147200 H\n0.903361 0.782165 0.647200 H\n0.096639 0.743839 0.878804 H\n0.235080 0.451981 0.251079 H\n0.764920 0.015999 0.216901 H\n0.200902 0.951981 0.716901 H\n0.799098 0.515999 0.751079 H\n0.382809 0.484620 0.334437 H\n0.617191 0.951628 0.101811 H\n0.150183 0.984620 0.601811 H\n0.849817 0.451628 0.834437 H\n0.291918 0.297320 0.169622 H\n0.708082 0.877704 0.005402 H\n0.127698 0.797320 0.505402 H\n0.872302 0.377704 0.669622 H\n0.467825 0.100468 0.278957 H\n0.532175 0.811132 0.632643 H\n0.821511 0.600468 0.132643 H\n0.178489 0.311132 0.778957 H\n0.590111 0.220312 0.461954 H\n0.409889 0.871843 0.630202 H\n0.758358 0.720312 0.130202 H\n0.241642 0.371843 0.961954 H\n0.503733 0.063642 0.389891 H\n0.496267 0.886158 0.559909 H\n0.673751 0.563642 0.059909 H\n0.326249 0.386158 0.889891 H\n0.528995 0.326832 0.740095 H\n0.471005 0.211100 0.797837 H\n0.586737 0.826832 0.297837 H\n0.413263 0.711100 0.240095 H\n0.573667 0.476088 0.772778 H\n0.426333 0.199111 0.902420 H\n0.703310 0.976088 0.402420 H\n0.296690 0.699111 0.272778 H\n0.449126 0.453476 0.786873 H\n0.550874 0.337747 0.004350 H\n0.666603 0.953476 0.504350 H\n0.333397 0.837747 0.286873 H\n0.190996 0.599585 0.505857 H\n0.809004 0.314861 0.408589 H\n0.093729 0.099585 0.908589 H\n0.906271 0.814861 0.005857 H\n0.250203 0.589943 0.640036 H\n0.749797 0.389833 0.339740 H\n0.949908 0.089943 0.839740 H\n0.050092 0.889833 0.140036 H\n0.338019 0.681747 0.632731 H\n0.661981 0.294712 0.343728 H\n0.049016 0.181747 0.843728 H\n0.950984 0.794712 0.132731 H\n0.307248 0.063416 0.428925 H\n0.692752 0.121677 0.756168 H\n0.634491 0.563416 0.256168 H\n0.365509 0.621677 0.928925 H\n0.238697 0.203517 0.497505 H\n0.761303 0.258808 0.964820 H\n0.706011 0.703517 0.464820 H\n0.293989 0.758808 0.997505 H\n0.232753 0.077317 0.304181 H\n0.767247 0.071428 0.844563 H\n0.773136 0.577317 0.344563 H\n0.226864 0.571428 0.804181 H\n0.157797 0.271470 0.299599 C\n0.842203 0.141802 0.113674 C\n0.971871 0.771470 0.613674 C\n0.028129 0.641802 0.799599 C\n0.300233 0.411745 0.278151 C\n0.699767 0.977918 0.111512 C\n0.133594 0.911745 0.611512 C\n0.866406 0.477918 0.778151 C\n0.503345 0.152470 0.398596 C\n0.496655 0.895250 0.649125 C\n0.753875 0.652470 0.149125 C\n0.246125 0.395250 0.898596 C\n0.499912 0.393321 0.721803 C\n0.500088 0.221890 0.893408 C\n0.671518 0.893321 0.393408 C\n0.328482 0.721890 0.221803 C\n0.264433 0.588083 0.561624 C\n0.735567 0.297191 0.323650 C\n0.026459 0.088083 0.823650 C\n0.973541 0.797191 0.061624 C\n0.286135 0.143032 0.426967 C\n0.713865 0.140832 0.856898 C\n0.716065 0.643032 0.356898 C\n0.283935 0.640832 0.926967 C\n0.559121 0.549858 0.597663 I\n0.440879 0.038542 0.990737 I\n0.952195 0.049858 0.490737 I\n0.047805 0.538542 0.097663 I\n0.394111 0.386072 0.482448 N\n0.605889 0.088337 0.991961 N\n0.903624 0.886072 0.491961 N\n0.096376 0.588337 0.982448 N\n0.752578 0.733080 0.728760 Cl\n0.247422 0.976182 0.980502 Cl\n0.004320 0.233080 0.480502 Cl\n0.995680 0.476182 0.228760 Cl\n","nsites":116,"nelements":7,"elements":["Si","P","H","C","I","N","Cl"],"chemical_system":"C-Cl-H-I-N-P-Si","density":1.449173309947132,"density_atomic":0.07772202043665322,"volume":1492.4985139127332,"volume_molar":7.748307012821809,"formula_full":"Si4 P4 H72 C24 I4 N4 Cl4","formula_reduced":"SiPH18C6INCl","formula_anonymous":"ABCDEF6G18","energy":-587.9957829,"energy_per_atom":-5.068929162931035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-584.0957829,"band_gap":2.7535,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:50.718000Z","spacegroup":45},{"id":"mp-1110866","created_at":"2022-09-04T14:46:28.406567Z","structure_string":"K2 Li1 Pr1 Cl6\n1.0\n0.000000 5.307809 5.307809\n5.307809 0.000000 5.307809\n5.307809 5.307809 0.000000\nK Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.742018 0.257982 0.257982 Cl\n0.257982 0.257982 0.742018 Cl\n0.257982 0.742018 0.742018 Cl\n0.257982 0.742018 0.257982 Cl\n0.742018 0.257982 0.742018 Cl\n0.742018 0.742018 0.257982 Cl\n","nsites":10,"nelements":4,"elements":["K","Li","Pr","Cl"],"chemical_system":"Cl-K-Li-Pr","density":2.436146979789107,"density_atomic":0.033436756677795595,"volume":299.0720689916889,"volume_molar":18.01054096852382,"formula_full":"K2 Li1 Pr1 Cl6","formula_reduced":"K2LiPrCl6","formula_anonymous":"ABC2D6","energy":-43.98173057999999,"energy_per_atom":-4.398173057999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.29773058,"band_gap":4.8264,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:33.265000Z","spacegroup":225}]}