{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10256","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10254","results":[{"id":"mp-1196128","created_at":"2022-09-04T14:41:46.627284Z","structure_string":"Li1 Al1 H8 C16 O8 F36\n1.0\n-6.749883 6.749883 4.691083\n6.749883 -6.749883 4.691083\n6.749883 6.749883 -4.691083\nLi Al H C O F\n1 1 8 16 8 36\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.688928 0.966499 0.475156 H\n0.491343 0.213772 0.524844 H\n0.786228 0.311072 0.277571 H\n0.033501 0.508657 0.722429 H\n0.583732 0.941856 0.333363 H\n0.608492 0.250369 0.666637 H\n0.749631 0.416268 0.358124 H\n0.058144 0.391508 0.641876 H\n0.115235 0.005898 0.764823 C\n0.241075 0.350412 0.235177 C\n0.649588 0.884765 0.890663 C\n0.994102 0.758925 0.109337 C\n0.317351 0.130998 0.852874 C\n0.278124 0.464477 0.147126 C\n0.535523 0.682649 0.813647 C\n0.869002 0.721876 0.186353 C\n0.085511 0.066160 0.645717 C\n0.420443 0.439794 0.354283 C\n0.560206 0.914489 0.980649 C\n0.933840 0.579557 0.019351 C\n0.037991 0.814464 0.692529 C\n0.121935 0.345463 0.307471 C\n0.654537 0.962009 0.776472 C\n0.185536 0.878065 0.223528 C\n0.035181 0.013672 0.846565 O\n0.167107 0.188616 0.153435 O\n0.811384 0.964819 0.978491 O\n0.986328 0.832893 0.021509 O\n0.680605 0.028733 0.423303 O\n0.605430 0.257302 0.576697 O\n0.742698 0.319395 0.348128 O\n0.971267 0.394570 0.651872 O\n0.396986 0.097505 0.785223 F\n0.312282 0.611763 0.214777 F\n0.388237 0.603014 0.700519 F\n0.902495 0.687718 0.299481 F\n0.347740 0.115771 0.976157 F\n0.139614 0.371583 0.023843 F\n0.628417 0.652260 0.768031 F\n0.884229 0.860386 0.231969 F\n0.395530 0.298154 0.881808 F\n0.416346 0.513722 0.118192 F\n0.486278 0.604470 0.902624 F\n0.701846 0.583654 0.097376 F\n0.196929 0.107780 0.581807 F\n0.525972 0.615121 0.418193 F\n0.384879 0.803071 0.910851 F\n0.892220 0.474028 0.089149 F\n0.106847 0.207518 0.699804 F\n0.507714 0.407043 0.300196 F\n0.592957 0.893153 0.100671 F\n0.792482 0.492286 0.899329 F\n0.921299 0.939349 0.544805 F\n0.394544 0.376494 0.455195 F\n0.623506 0.078701 0.018049 F\n0.060651 0.605456 0.981951 F\n0.081317 0.791743 0.583403 F\n0.208339 0.497914 0.416597 F\n0.502086 0.918683 0.710426 F\n0.208257 0.791661 0.289574 F\n0.862941 0.697879 0.644047 F\n0.053832 0.218894 0.355953 F\n0.781106 0.137059 0.834938 F\n0.302121 0.946168 0.165062 F\n0.097575 0.772988 0.786627 F\n0.986360 0.310947 0.213373 F\n0.689053 0.902425 0.675413 F\n0.227012 0.013640 0.324587 F\n","nsites":70,"nelements":6,"elements":["Li","Al","H","C","O","F"],"chemical_system":"Al-C-F-H-Li-O","density":2.0318639010346367,"density_atomic":0.08187898335732635,"volume":854.9202387444708,"volume_molar":7.354928594702868,"formula_full":"Li1 Al1 H8 C16 O8 F36","formula_reduced":"LiAlH8C16(O2F9)4","formula_anonymous":"ABC8D8E16F36","energy":-412.95888367,"energy_per_atom":-5.899412623857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.83088367,"band_gap":5.8174,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001693,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.764000Z","spacegroup":82},{"id":"mp-570562","created_at":"2022-09-04T14:41:51.919061Z","structure_string":"Te6 Pt4\n1.0\n2.028856 3.516127 0.000000\n-2.028856 3.516127 0.000000\n0.000000 2.264568 17.584677\nTe Pt\n6 4\ndirect\n0.765484 0.765484 0.729256 Te\n0.036162 0.036162 0.888808 Te\n0.148804 0.148804 0.572913 Te\n0.234516 0.234516 0.270744 Te\n0.963838 0.963838 0.111192 Te\n0.851196 0.851196 0.427087 Te\n0.457683 0.457683 0.650120 Pt\n0.542317 0.542317 0.349880 Pt\n0.652958 0.652958 0.042065 Pt\n0.347042 0.347042 0.957935 Pt\n","nsites":10,"nelements":2,"elements":["Te","Pt"],"chemical_system":"Pt-Te","density":10.23199784997243,"density_atomic":0.03985839732682685,"volume":250.88816085611805,"volume_molar":15.10883819693065,"formula_full":"Te6 Pt4","formula_reduced":"Te3Pt2","formula_anonymous":"A2B3","energy":-49.47573608,"energy_per_atom":-4.947573608,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.94373608,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023734,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.976000Z","spacegroup":12},{"id":"mp-1204839","created_at":"2022-09-04T14:41:49.946572Z","structure_string":"H24 C12 S12 N4 Cl12 O20\n1.0\n14.539296 0.000000 0.000000\n0.000000 9.625182 0.000000\n0.000000 4.563519 9.581927\nH C S N Cl O\n24 12 12 4 12 20\ndirect\n0.419142 0.826046 0.964728 H\n0.919142 0.173954 0.535272 H\n0.580858 0.173954 0.035272 H\n0.080858 0.826046 0.464728 H\n0.455990 0.811279 0.131935 H\n0.955990 0.188721 0.368065 H\n0.544010 0.188721 0.868065 H\n0.044010 0.811279 0.631935 H\n0.424413 0.638614 0.110690 H\n0.924413 0.361386 0.389310 H\n0.575587 0.361386 0.889310 H\n0.075587 0.638614 0.610690 H\n0.801623 0.904156 0.215501 H\n0.301623 0.095844 0.284499 H\n0.198377 0.095844 0.784499 H\n0.698377 0.904156 0.715501 H\n0.754552 0.910186 0.054676 H\n0.254552 0.089814 0.445324 H\n0.245448 0.089814 0.945324 H\n0.745448 0.910186 0.554676 H\n0.820152 0.743959 0.173236 H\n0.320152 0.256041 0.326764 H\n0.179848 0.256041 0.826764 H\n0.679848 0.743959 0.673236 H\n0.600420 0.319902 0.378553 C\n0.100420 0.680098 0.121447 C\n0.399580 0.680098 0.621447 C\n0.899580 0.319902 0.878553 C\n0.454666 0.753908 0.062536 C\n0.954666 0.246092 0.437464 C\n0.545334 0.246092 0.937464 C\n0.045334 0.753908 0.562536 C\n0.773105 0.837032 0.163115 C\n0.273105 0.162968 0.336885 C\n0.226895 0.162968 0.836885 C\n0.726895 0.837032 0.663115 C\n0.668096 0.460175 0.204960 S\n0.168096 0.539825 0.295040 S\n0.331904 0.539825 0.795040 S\n0.831904 0.460175 0.704960 S\n0.568697 0.739375 0.011837 S\n0.068697 0.260625 0.488163 S\n0.431303 0.260625 0.988163 S\n0.931303 0.739375 0.511837 S\n0.670821 0.753353 0.254321 S\n0.170821 0.246647 0.245679 S\n0.329179 0.246647 0.745679 S\n0.829179 0.753353 0.754321 S\n0.628576 0.646825 0.169260 N\n0.128576 0.353175 0.330740 N\n0.371424 0.353175 0.830740 N\n0.871424 0.646825 0.669260 N\n0.595423 0.151327 0.348168 Cl\n0.095423 0.848673 0.151832 Cl\n0.404577 0.848673 0.651832 Cl\n0.904577 0.151327 0.848168 Cl\n0.663862 0.283192 0.529064 Cl\n0.163862 0.716808 0.970936 Cl\n0.336138 0.716808 0.470936 Cl\n0.836138 0.283192 0.029064 Cl\n0.490390 0.390589 0.382288 Cl\n0.990390 0.609411 0.117712 Cl\n0.509610 0.609411 0.617712 Cl\n0.009610 0.390589 0.882288 Cl\n0.571388 0.635147 0.947381 O\n0.071388 0.364853 0.552619 O\n0.428612 0.364853 0.052619 O\n0.928612 0.635147 0.447381 O\n0.608313 0.891153 0.941742 O\n0.108313 0.108847 0.558258 O\n0.391687 0.108847 0.058258 O\n0.891687 0.891153 0.441742 O\n0.693101 0.643010 0.393170 O\n0.193101 0.356990 0.106830 O\n0.306899 0.356990 0.606830 O\n0.806899 0.643010 0.893170 O\n0.603659 0.872607 0.231043 O\n0.103659 0.127393 0.268957 O\n0.396341 0.127393 0.768957 O\n0.896341 0.872607 0.731043 O\n0.764237 0.447303 0.251320 O\n0.264237 0.552697 0.248680 O\n0.235763 0.552697 0.748680 O\n0.735763 0.447303 0.751320 O\n","nsites":84,"nelements":6,"elements":["H","C","S","N","Cl","O"],"chemical_system":"C-Cl-H-N-O-S","density":1.677408636636618,"density_atomic":0.06264322380670086,"volume":1340.9271569292166,"volume_molar":9.613395342778992,"formula_full":"H24 C12 S12 N4 Cl12 O20","formula_reduced":"H6C3S3NCl3O5","formula_anonymous":"AB3C3D3E5F6","energy":-452.2378934800001,"energy_per_atom":-5.383784446190477,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-429.68589348,"band_gap":4.0119,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.5e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:27.309000Z","spacegroup":14},{"id":"mp-1222979","created_at":"2022-09-04T14:41:46.649654Z","structure_string":"La4 Ho4 Si8 O28\n1.0\n8.652921 0.000000 0.000000\n0.000000 5.442923 0.000000\n0.000000 5.325156 12.976376\nLa Ho Si O\n4 4 8 28\ndirect\n0.805333 0.484086 0.771360 La\n0.305333 0.515914 0.728640 La\n0.194667 0.515914 0.228640 La\n0.694667 0.484086 0.271360 La\n0.607689 0.182451 0.590176 Ho\n0.107689 0.817549 0.909824 Ho\n0.392311 0.817549 0.409824 Ho\n0.892311 0.182451 0.090176 Ho\n0.244757 0.251328 0.021202 Si\n0.744757 0.748672 0.478798 Si\n0.755243 0.748672 0.978798 Si\n0.255243 0.251328 0.521202 Si\n0.501826 0.045858 0.182021 Si\n0.001826 0.954142 0.317979 Si\n0.498174 0.954142 0.817979 Si\n0.998174 0.045858 0.682021 Si\n0.418766 0.207630 0.070740 O\n0.918766 0.792370 0.429260 O\n0.581234 0.792370 0.929260 O\n0.081234 0.207630 0.570740 O\n0.251899 0.463596 0.902817 O\n0.751899 0.536404 0.597183 O\n0.748101 0.536404 0.097183 O\n0.248101 0.463596 0.402817 O\n0.156442 0.970818 0.040055 O\n0.656442 0.029182 0.459945 O\n0.843558 0.029182 0.959945 O\n0.343558 0.970818 0.540055 O\n0.130775 0.413606 0.074330 O\n0.630775 0.586394 0.425670 O\n0.869225 0.586394 0.925670 O\n0.369225 0.413606 0.574330 O\n0.422654 0.754644 0.244137 O\n0.922654 0.245356 0.255863 O\n0.577346 0.245356 0.755863 O\n0.077346 0.754644 0.744137 O\n0.480576 0.207874 0.259711 O\n0.980576 0.792126 0.240289 O\n0.519424 0.792126 0.740289 O\n0.019424 0.207874 0.759711 O\n0.681197 0.976348 0.168256 O\n0.181197 0.023652 0.331744 O\n0.318803 0.023652 0.831744 O\n0.818803 0.976348 0.668256 O\n","nsites":44,"nelements":4,"elements":["La","Ho","Si","O"],"chemical_system":"Ho-La-O-Si","density":5.129855363203873,"density_atomic":0.07199532993020984,"volume":611.1507516203108,"volume_molar":8.364626935993886,"formula_full":"La4 Ho4 Si8 O28","formula_reduced":"LaHoSi2O7","formula_anonymous":"ABC2D7","energy":-381.76858511,"energy_per_atom":-8.6765587525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-362.53258511,"band_gap":4.9618,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.686000Z","spacegroup":14},{"id":"mp-26114","created_at":"2022-09-04T14:41:46.651019Z","structure_string":"Ti4 P16 O48\n1.0\n8.331770 0.000000 0.000000\n0.000000 9.303445 0.000000\n0.000000 0.000000 12.995855\nTi P O\n4 16 48\ndirect\n0.348121 0.750000 0.000000 Ti\n0.651879 0.250000 0.000000 Ti\n0.151879 0.250000 0.500000 Ti\n0.848121 0.750000 0.500000 Ti\n0.181209 0.506082 0.147280 P\n0.818791 0.006082 0.147280 P\n0.462949 0.017718 0.148257 P\n0.537051 0.517718 0.148257 P\n0.037051 0.517718 0.351743 P\n0.962949 0.017718 0.351743 P\n0.318791 0.006082 0.352720 P\n0.681209 0.506082 0.352720 P\n0.318791 0.493918 0.647280 P\n0.681209 0.993918 0.647280 P\n0.037051 0.982282 0.648257 P\n0.962949 0.482282 0.648257 P\n0.462949 0.482282 0.851743 P\n0.537051 0.982282 0.851743 P\n0.181209 0.993918 0.852720 P\n0.818791 0.493918 0.852720 P\n0.200782 0.634570 0.073280 O\n0.799218 0.134570 0.073280 O\n0.475927 0.136671 0.069424 O\n0.524073 0.636671 0.069424 O\n0.088174 0.379732 0.117631 O\n0.911826 0.879732 0.117631 O\n0.365541 0.887863 0.115631 O\n0.634459 0.387863 0.115631 O\n0.363686 0.464941 0.182821 O\n0.636314 0.964941 0.182821 O\n0.116652 0.584684 0.251794 O\n0.883348 0.084684 0.251794 O\n0.383348 0.084684 0.248206 O\n0.616652 0.584684 0.248206 O\n0.136314 0.964941 0.317179 O\n0.863686 0.464941 0.317179 O\n0.134459 0.387863 0.384369 O\n0.865541 0.887863 0.384369 O\n0.411826 0.879732 0.382369 O\n0.588174 0.379732 0.382369 O\n0.024073 0.636671 0.430576 O\n0.975927 0.136671 0.430576 O\n0.299218 0.134570 0.426720 O\n0.700782 0.634570 0.426720 O\n0.299218 0.365430 0.573280 O\n0.700782 0.865430 0.573280 O\n0.024073 0.863329 0.569424 O\n0.975927 0.363329 0.569424 O\n0.411826 0.620268 0.617631 O\n0.588174 0.120268 0.617631 O\n0.134459 0.112137 0.615631 O\n0.865541 0.612137 0.615631 O\n0.136314 0.535059 0.682821 O\n0.863686 0.035059 0.682821 O\n0.383348 0.415316 0.751794 O\n0.616652 0.915316 0.751794 O\n0.116652 0.915316 0.748206 O\n0.883348 0.415316 0.748206 O\n0.363686 0.035059 0.817179 O\n0.636314 0.535059 0.817179 O\n0.365541 0.612137 0.884369 O\n0.634459 0.112137 0.884369 O\n0.088174 0.120268 0.882369 O\n0.911826 0.620268 0.882369 O\n0.475927 0.363329 0.930576 O\n0.524073 0.863329 0.930576 O\n0.200782 0.865430 0.926720 O\n0.799218 0.365430 0.926720 O\n","nsites":68,"nelements":3,"elements":["Ti","P","O"],"chemical_system":"O-P-Ti","density":2.3984570989389535,"density_atomic":0.06750298663994517,"volume":1007.3628351098871,"volume_molar":8.921295278565308,"formula_full":"Ti4 P16 O48","formula_reduced":"Ti(PO3)4","formula_anonymous":"AB4C12","energy":-542.3177289600001,"energy_per_atom":-7.975260720000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-509.34172896,"band_gap":2.7703,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001496,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.043000Z","spacegroup":60},{"id":"mp-1105706","created_at":"2022-09-04T14:41:46.652920Z","structure_string":"Tb7 Co1 I12\n1.0\n5.835301 -7.864507 0.000000\n5.835301 7.864507 0.000000\n-4.764061 0.000000 8.555988\nTb Co I\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Tb\n0.022422 0.092392 0.288953 Tb\n0.092392 0.288953 0.022422 Tb\n0.288953 0.022422 0.092392 Tb\n0.977578 0.907608 0.711047 Tb\n0.907608 0.711047 0.977578 Tb\n0.711047 0.977578 0.907608 Tb\n0.000000 0.000000 0.000000 Co\n0.160887 0.464219 0.387034 I\n0.464219 0.387034 0.160887 I\n0.387034 0.160887 0.464219 I\n0.839113 0.535781 0.612966 I\n0.535781 0.612966 0.839113 I\n0.612966 0.839113 0.535781 I\n0.678256 0.072075 0.225474 I\n0.072075 0.225474 0.678256 I\n0.225474 0.678256 0.072075 I\n0.321744 0.927925 0.774526 I\n0.927925 0.774526 0.321744 I\n0.774526 0.321744 0.927925 I\n","nsites":20,"nelements":3,"elements":["Tb","Co","I"],"chemical_system":"Co-I-Tb","density":5.697106824689575,"density_atomic":0.025468013235304156,"volume":785.2987908878455,"volume_molar":23.645899286922056,"formula_full":"Tb7 Co1 I12","formula_reduced":"Tb7CoI12","formula_anonymous":"AB7C12","energy":-86.86813056,"energy_per_atom":-4.343406528,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.32013056,"band_gap":0.2763,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001107,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.033000Z","spacegroup":148},{"id":"mp-764991","created_at":"2022-09-04T14:41:49.951284Z","structure_string":"Li6 V6 P16 O58\n1.0\n-9.760495 0.000000 0.000000\n4.859621 8.484129 0.000000\n-0.004945 -0.104464 -14.388300\nLi V P O\n6 6 16 58\ndirect\n0.658461 0.321794 0.607634 Li\n0.921181 0.696737 0.449257 Li\n0.219715 0.300906 0.053574 Li\n0.076709 0.785033 0.047122 Li\n0.701882 0.918916 0.051915 Li\n0.011510 0.064226 0.521152 Li\n0.003988 0.428581 0.750180 V\n0.001054 0.561998 0.251077 V\n0.438529 0.434157 0.254828 V\n0.566676 0.572696 0.749713 V\n0.426266 0.993905 0.747908 V\n0.563397 0.001509 0.257827 V\n0.314284 0.084930 0.162093 P\n0.308754 0.219191 0.660766 P\n0.781831 0.087107 0.659372 P\n0.666518 0.333397 0.864154 P\n0.670581 0.337514 0.369715 P\n0.910125 0.224343 0.161955 P\n0.084649 0.307181 0.342541 P\n0.770151 0.681971 0.158472 P\n0.232027 0.315040 0.840934 P\n0.905307 0.679851 0.658874 P\n0.085240 0.769712 0.836561 P\n0.330564 0.663744 0.629793 P\n0.335966 0.666808 0.136243 P\n0.220818 0.916341 0.343791 P\n0.693785 0.775990 0.340003 P\n0.685083 0.916620 0.839522 P\n0.206252 0.990345 0.429651 O\n0.349529 0.082939 0.664960 O\n0.237886 0.249502 0.932296 O\n0.340332 0.255198 0.163761 O\n0.475313 0.093143 0.183207 O\n0.527482 0.181146 0.817465 O\n0.625925 0.092574 0.662965 O\n0.751977 0.988663 0.931122 O\n0.740356 0.080917 0.163650 O\n0.519438 0.332252 0.326350 O\n0.469626 0.374098 0.665521 O\n0.672162 0.188969 0.327943 O\n0.666109 0.335293 0.966947 O\n0.671844 0.342735 0.473140 O\n0.820449 0.344358 0.821005 O\n0.618607 0.522053 0.179283 O\n0.654176 0.473546 0.818538 O\n0.918033 0.263258 0.666933 O\n0.992073 0.201204 0.253437 O\n0.015023 0.221984 0.429056 O\n0.003878 0.235507 0.078616 O\n0.901674 0.378562 0.181122 O\n0.816869 0.489598 0.329769 O\n0.085911 0.338873 0.829764 O\n0.894250 0.517225 0.669137 O\n0.733281 0.650807 0.666604 O\n0.215345 0.198618 0.757895 O\n0.202526 0.196496 0.582156 O\n0.786569 0.782422 0.422722 O\n0.258884 0.346841 0.326642 O\n0.082081 0.464973 0.327082 O\n0.916316 0.657462 0.161970 O\n0.181643 0.520100 0.674534 O\n0.094981 0.619177 0.817701 O\n0.009046 0.767757 0.925945 O\n0.981492 0.766525 0.572271 O\n0.992325 0.787105 0.749228 O\n0.082644 0.741440 0.333490 O\n0.340158 0.519868 0.175296 O\n0.380461 0.474922 0.818644 O\n0.182427 0.660153 0.181151 O\n0.327365 0.668289 0.033391 O\n0.329192 0.663282 0.527072 O\n0.336136 0.814599 0.674351 O\n0.534098 0.617088 0.326903 O\n0.476083 0.660164 0.674704 O\n0.255011 0.915543 0.827923 O\n0.206280 0.002001 0.252274 O\n0.232574 0.992660 0.077947 O\n0.382112 0.917396 0.328934 O\n0.480180 0.817621 0.179335 O\n0.525465 0.906951 0.817175 O\n0.659553 0.746024 0.828664 O\n0.761305 0.763204 0.074181 O\n0.794300 0.792680 0.248055 O\n0.656038 0.912328 0.332549 O\n0.811157 0.007973 0.580127 O\n0.800508 0.013183 0.756419 O\n","nsites":86,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.467970282487847,"density_atomic":0.07217883370082083,"volume":1191.485032252911,"volume_molar":8.343361136814151,"formula_full":"Li6 V6 P16 O58","formula_reduced":"Li3V3P8O29","formula_anonymous":"A3B3C8D29","energy":-656.38536507,"energy_per_atom":-7.632387965930233,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-606.33936507,"band_gap":0.4419,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.4e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.273000Z","spacegroup":1},{"id":"mp-1221191","created_at":"2022-09-04T14:41:46.655602Z","structure_string":"Na4 B3 Cl1\n1.0\n-2.773742 2.773742 5.494987\n2.773742 -2.773742 5.494987\n2.773742 2.773742 -5.494987\nNa B Cl\n4 3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.247882 0.247882 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.752118 0.752118 0.000000 Na\n0.250000 0.750000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 Cl\n","nsites":8,"nelements":3,"elements":["Na","B","Cl"],"chemical_system":"B-Cl-Na","density":1.569602121403651,"density_atomic":0.04730763104306445,"volume":169.1059100532332,"volume_molar":12.729744921105867,"formula_full":"Na4 B3 Cl1","formula_reduced":"Na4B3Cl","formula_anonymous":"AB3C4","energy":-19.06760299,"energy_per_atom":-2.38345037375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.45360299,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0137772,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.672000Z","spacegroup":139},{"id":"mp-555349","created_at":"2022-09-04T14:41:28.191247Z","structure_string":"La12 C6 O30\n1.0\n3.555181 6.142130 0.000000\n-3.555181 6.142130 0.000000\n0.000000 4.076290 16.023970\nLa C O\n12 6 30\ndirect\n0.141060 0.963378 0.594066 La\n0.634268 0.798980 0.094384 La\n0.036622 0.858940 0.905934 La\n0.858940 0.036622 0.405934 La\n0.365732 0.201020 0.905616 La\n0.468803 0.304806 0.596355 La\n0.304806 0.468803 0.096355 La\n0.201020 0.365732 0.405616 La\n0.531197 0.695194 0.403645 La\n0.695194 0.531197 0.903645 La\n0.798980 0.634268 0.594384 La\n0.963378 0.141060 0.094066 La\n0.809443 0.190557 0.750000 C\n0.415185 0.969655 0.750316 C\n0.190557 0.809443 0.250000 C\n0.969655 0.415185 0.250316 C\n0.030345 0.584815 0.749684 C\n0.584815 0.030345 0.249684 C\n0.184471 0.021207 0.441452 O\n0.845660 0.590922 0.749172 O\n0.394378 0.856219 0.821280 O\n0.815529 0.978793 0.558548 O\n0.021207 0.184471 0.941452 O\n0.745452 0.302320 0.678895 O\n0.146329 0.313351 0.558515 O\n0.009085 0.990915 0.250000 O\n0.978793 0.815529 0.058548 O\n0.904911 0.441920 0.178994 O\n0.605622 0.143781 0.178720 O\n0.441920 0.904911 0.678994 O\n0.649586 0.483971 0.052471 O\n0.516029 0.350414 0.447529 O\n0.254548 0.697680 0.321105 O\n0.313351 0.146329 0.058515 O\n0.483971 0.649586 0.552471 O\n0.853671 0.686649 0.441485 O\n0.686649 0.853671 0.941485 O\n0.409078 0.154340 0.750828 O\n0.990915 0.009085 0.750000 O\n0.697680 0.254548 0.821105 O\n0.590922 0.845660 0.249172 O\n0.350414 0.516029 0.947529 O\n0.154340 0.409078 0.250828 O\n0.558080 0.095089 0.321006 O\n0.856219 0.394378 0.321280 O\n0.302320 0.745452 0.178895 O\n0.143781 0.605622 0.678720 O\n0.095089 0.558080 0.821006 O\n","nsites":48,"nelements":3,"elements":["La","C","O"],"chemical_system":"C-La-O","density":5.265120386044458,"density_atomic":0.06858993607042119,"volume":699.8111202599529,"volume_molar":8.779918899205674,"formula_full":"La12 C6 O30","formula_reduced":"La2CO5","formula_anonymous":"AB2C5","energy":-420.38119183,"energy_per_atom":-8.757941496458333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-399.77119183,"band_gap":3.8397,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019059,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.008000Z","spacegroup":15},{"id":"mp-1244980","created_at":"2022-09-04T14:41:28.190632Z","structure_string":"Zn50 S50\n1.0\n13.523108 0.512789 -0.311606\n0.611428 13.237389 0.027604\n-0.379339 0.062859 13.579824\nZn S\n50 50\ndirect\n0.920983 0.450821 0.978882 Zn\n0.432946 0.209336 0.142651 Zn\n0.351017 0.000173 0.949870 Zn\n0.939384 0.708109 0.986125 Zn\n0.299028 0.132261 0.719589 Zn\n0.688827 0.752883 0.926780 Zn\n0.850720 0.230635 0.194601 Zn\n0.524335 0.523391 0.376210 Zn\n0.906176 0.637232 0.811140 Zn\n0.152914 0.783530 0.157450 Zn\n0.289193 0.783104 0.282072 Zn\n0.068177 0.147810 0.038118 Zn\n0.343458 0.375195 0.679517 Zn\n0.823229 0.484781 0.371449 Zn\n0.882524 0.261800 0.902124 Zn\n0.413420 0.271685 0.900908 Zn\n0.502590 0.487724 0.044937 Zn\n0.567672 0.172260 0.770092 Zn\n0.993327 0.039605 0.278965 Zn\n0.642446 0.281035 0.011965 Zn\n0.207854 0.063126 0.410296 Zn\n0.006465 0.881025 0.504607 Zn\n0.633565 0.642370 0.130513 Zn\n0.747100 0.010880 0.389837 Zn\n0.614900 0.762970 0.350435 Zn\n0.816072 0.243570 0.439112 Zn\n0.098175 0.959724 0.003933 Zn\n0.946938 0.417693 0.585022 Zn\n0.006671 0.665757 0.495234 Zn\n0.874023 0.151720 0.631596 Zn\n0.245257 0.525674 0.410604 Zn\n0.474642 0.000235 0.365615 Zn\n0.827680 0.753345 0.264903 Zn\n0.159510 0.284102 0.260174 Zn\n0.779378 0.703373 0.547559 Zn\n0.327079 0.748670 0.097222 Zn\n0.548043 0.633015 0.837085 Zn\n0.048729 0.559986 0.152380 Zn\n0.279941 0.793505 0.497023 Zn\n0.376263 0.262097 0.355041 Zn\n0.311542 0.609760 0.663244 Zn\n0.303153 0.810855 0.763071 Zn\n0.119940 0.315065 0.822198 Zn\n0.047259 0.748463 0.790811 Zn\n0.532444 0.928941 0.801458 Zn\n0.822992 0.969325 0.852232 Zn\n0.058354 0.075151 0.849637 Zn\n0.311967 0.545067 0.887555 Zn\n0.292539 0.446785 0.172710 Zn\n0.860468 0.885278 0.157626 Zn\n0.497549 0.760465 0.164240 S\n0.360759 0.971969 0.774366 S\n0.642408 0.557343 0.988518 S\n0.439767 0.528966 0.773778 S\n0.543084 0.343157 0.130948 S\n0.768655 0.339453 0.304553 S\n0.521945 0.795303 0.907045 S\n0.048615 0.025969 0.441874 S\n0.026929 0.192683 0.201513 S\n0.345838 0.566794 0.057817 S\n0.422972 0.214529 0.660570 S\n0.275402 0.376951 0.842662 S\n0.072600 0.764318 0.615694 S\n0.569901 0.316268 0.858966 S\n0.186472 0.700834 0.393237 S\n0.039875 0.314849 0.967958 S\n0.034302 0.916744 0.156773 S\n0.449116 0.121883 0.990565 S\n0.797094 0.207408 0.032208 S\n0.958036 0.255572 0.539416 S\n0.240225 0.482977 0.578412 S\n0.134951 0.166672 0.734122 S\n0.324067 0.930566 0.386057 S\n0.228065 0.230632 0.416498 S\n0.270703 0.280828 0.130756 S\n0.976280 0.458690 0.749270 S\n0.103312 0.671053 0.042568 S\n0.870581 0.789200 0.438639 S\n0.214110 0.677133 0.804826 S\n0.387977 0.440959 0.333419 S\n0.386346 0.754045 0.622100 S\n0.885966 0.566261 0.091257 S\n0.618923 0.909880 0.425339 S\n0.818022 0.044718 0.245687 S\n0.145048 0.468621 0.265386 S\n0.744066 0.119246 0.521894 S\n0.007644 0.906487 0.855752 S\n0.711275 0.627196 0.285339 S\n0.978803 0.508468 0.447775 S\n0.462620 0.700140 0.303518 S\n0.812042 0.846525 0.984252 S\n0.724251 0.655302 0.780293 S\n0.500161 0.153344 0.301711 S\n0.258286 0.874028 0.983628 S\n0.845585 0.425062 0.818583 S\n0.727251 0.780537 0.685902 S\n0.657642 0.019631 0.767647 S\n0.886265 0.124797 0.797423 S\n0.596791 0.524061 0.529129 S\n0.750154 0.532529 0.525132 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.337210928998438,"density_atomic":0.04123592746205983,"volume":2425.069742689977,"volume_molar":14.604111343296022,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-341.6701571,"energy_per_atom":-3.416701571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-316.5201571,"band_gap":1.3911,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.614000Z","spacegroup":1},{"id":"mp-10453","created_at":"2022-09-04T14:41:28.203801Z","structure_string":"Lu1 Si2 Ru2\n1.0\n-2.085657 2.085657 4.711054\n2.085657 -2.085657 4.711054\n2.085657 2.085657 -4.711054\nLu Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.630197 0.630197 0.000000 Si\n0.369803 0.369803 0.000000 Si\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n","nsites":5,"nelements":3,"elements":["Lu","Si","Ru"],"chemical_system":"Lu-Ru-Si","density":8.777116988666759,"density_atomic":0.06099667418032396,"volume":81.97168234482001,"volume_molar":9.87290018829026,"formula_full":"Lu1 Si2 Ru2","formula_reduced":"Lu(SiRu)2","formula_anonymous":"AB2C2","energy":-38.25698679,"energy_per_atom":-7.651397358,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.39898679,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018534,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.983000Z","spacegroup":139},{"id":"mp-1068869","created_at":"2022-09-04T14:41:28.209198Z","structure_string":"Th1 Si3 Ir1\n1.0\n-2.143373 2.143373 4.867467\n2.143373 -2.143373 4.867467\n2.143373 2.143373 -4.867467\nTh Si Ir\n1 3 1\ndirect\n0.999261 0.999261 0.000000 Th\n0.409896 0.409896 0.000000 Si\n0.264981 0.764981 0.500000 Si\n0.764981 0.264981 0.500000 Si\n0.654882 0.654882 0.000000 Ir\n","nsites":5,"nelements":3,"elements":["Th","Si","Ir"],"chemical_system":"Ir-Si-Th","density":9.440422021360307,"density_atomic":0.05589995856346135,"volume":89.44550458518977,"volume_molar":10.773068379224764,"formula_full":"Th1 Si3 Ir1","formula_reduced":"ThSi3Ir","formula_anonymous":"ABC3","energy":-36.70973612,"energy_per_atom":-7.341947224,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.70973612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002318,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.911000Z","spacegroup":107}]}