{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4563","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4561","results":[{"id":"jvasp-98354","created_at":"2022-09-04T14:35:44.029909Z","updated_at":"2022-09-04T14:35:44.029933Z","structure_string":"Ba9 Y2 Si6 O24\n1.0\n5.040557 2.910164 7.441032\n-5.040586 2.910168 7.441050\n-0.000011 -5.820370 7.441056\nBa Y Si O\n9 2 6 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.662362 0.662365 0.662357 Ba\n0.337637 0.337635 0.337643 Ba\n0.248991 0.559013 0.860956 Ba\n0.559012 0.860957 0.248989 Ba\n0.860954 0.248992 0.559013 Ba\n0.751008 0.440987 0.139044 Ba\n0.440988 0.139043 0.751011 Ba\n0.139046 0.751009 0.440987 Ba\n0.835481 0.835480 0.835481 Y\n0.164518 0.164520 0.164520 Y\n0.410978 0.754468 0.053985 Si\n0.053986 0.410979 0.754468 Si\n0.754468 0.053983 0.410981 Si\n0.589022 0.245533 0.946015 Si\n0.946014 0.589021 0.245532 Si\n0.245532 0.946017 0.589020 Si\n0.429262 0.618065 0.231781 O\n0.768217 0.570737 0.381929 O\n0.381931 0.768221 0.570736 O\n0.570738 0.381935 0.768220 O\n0.094508 0.281365 0.930143 O\n0.930145 0.094507 0.281371 O\n0.281369 0.930143 0.094512 O\n0.905492 0.718635 0.069857 O\n0.069855 0.905493 0.718629 O\n0.718630 0.069857 0.905488 O\n0.595825 0.784898 0.951369 O\n0.708177 0.940633 0.359569 O\n0.784898 0.951362 0.595826 O\n0.404175 0.215102 0.048632 O\n0.048632 0.404178 0.215096 O\n0.215101 0.048638 0.404175 O\n0.359566 0.708185 0.940632 O\n0.940633 0.359576 0.708172 O\n0.618069 0.231779 0.429264 O\n0.640434 0.291816 0.059369 O\n0.059366 0.640424 0.291828 O\n0.291823 0.059367 0.640432 O\n0.951368 0.595823 0.784905 O\n0.231783 0.429264 0.618071 O\n","nsites":41,"nelements":4,"elements":["Ba","Y","Si","O"],"chemical_system":"Ba-O-Si-Y","density":4.9854445470942945,"density_atomic":0.06260358224396706,"volume":654.9145996186354,"volume_molar":9.619482694347473,"formula_full":"Ba9 Y2 Si6 O24","formula_reduced":"Ba9Y2(SiO4)6","formula_anonymous":"A2B6C9D24","energy_above_hull":2.4619948836585364,"spacegroup":148},{"id":"jvasp-98355","created_at":"2022-09-04T14:35:49.538261Z","updated_at":"2022-09-04T14:35:49.538287Z","structure_string":"Ba4 Al16 O28\n1.0\n12.860491 0.000000 0.000000\n0.000000 9.239364 0.000000\n0.000000 0.000000 5.586442\nBa Al O\n4 16 28\ndirect\n0.000000 0.191220 0.884637 Ba\n0.500000 0.691220 0.115362 Ba\n0.000000 0.782737 0.384648 Ba\n0.500000 0.282737 0.615351 Ba\n0.123141 0.551755 0.879100 Al\n0.876859 0.551755 0.879100 Al\n0.376859 0.051755 0.120899 Al\n0.123143 0.422205 0.379101 Al\n0.876857 0.422205 0.379101 Al\n0.376857 0.922205 0.620899 Al\n0.623143 0.922205 0.620899 Al\n0.623140 0.051755 0.120899 Al\n0.674939 0.398747 0.067834 Al\n0.174939 0.898746 0.932165 Al\n0.825061 0.898746 0.932165 Al\n0.325057 0.575220 0.567833 Al\n0.674943 0.575220 0.567833 Al\n0.174943 0.075220 0.432167 Al\n0.825057 0.075220 0.432167 Al\n0.325061 0.398747 0.067834 Al\n0.373916 0.461995 0.341577 O\n0.873913 0.011973 0.158428 O\n0.126087 0.011973 0.158428 O\n0.626087 0.511972 0.841572 O\n0.373913 0.511972 0.841572 O\n0.133329 0.724136 0.997495 O\n0.366671 0.224136 0.002505 O\n0.866671 0.724136 0.997495 O\n0.500000 0.988183 0.198605 O\n0.000000 0.488183 0.801395 O\n0.626084 0.461995 0.341577 O\n0.633329 0.224136 0.002505 O\n0.126084 0.961994 0.658422 O\n0.185331 0.425571 0.083553 O\n0.366662 0.749828 0.502499 O\n0.633338 0.749828 0.502499 O\n0.133338 0.249828 0.497500 O\n0.866662 0.249828 0.497500 O\n0.185328 0.548391 0.583555 O\n0.814672 0.548391 0.583555 O\n0.314672 0.048391 0.416445 O\n0.685328 0.048391 0.416445 O\n0.500000 0.985760 0.698600 O\n0.814669 0.425571 0.083553 O\n0.314669 0.925571 0.916447 O\n0.685331 0.925571 0.916447 O\n0.873915 0.961994 0.658422 O\n0.000000 0.485761 0.301399 O\n","nsites":48,"nelements":3,"elements":["Ba","Al","O"],"chemical_system":"Al-Ba-O","density":3.574745548294505,"density_atomic":0.07231132446539877,"volume":663.7964434321511,"volume_molar":8.328074204866233,"formula_full":"Ba4 Al16 O28","formula_reduced":"BaAl4O7","formula_anonymous":"AB4C7","energy_above_hull":2.101285139166668,"spacegroup":62},{"id":"jvasp-98356","created_at":"2022-09-04T14:35:54.084293Z","updated_at":"2022-09-04T14:35:54.084310Z","structure_string":"Ba4 B8 S12 O52\n1.0\n17.216668 0.000000 0.000000\n0.000000 12.328108 0.000000\n0.000000 0.000000 4.439351\nBa B S O\n4 8 12 52\ndirect\n0.275564 0.750000 0.467287 Ba\n0.775564 0.750000 0.032713 Ba\n0.724436 0.250000 0.532713 Ba\n0.224436 0.250000 0.967287 Ba\n0.074511 0.647874 0.428982 B\n0.574511 0.852126 0.071018 B\n0.925490 0.147874 0.571018 B\n0.425489 0.352126 0.928982 B\n0.425489 0.147874 0.928982 B\n0.074511 0.852126 0.428982 B\n0.574511 0.647874 0.071018 B\n0.925490 0.352126 0.571018 B\n0.643971 0.559722 0.564569 S\n0.051635 0.250000 0.359975 S\n0.551635 0.250000 0.140025 S\n0.948365 0.750000 0.640025 S\n0.448365 0.750000 0.859975 S\n0.143970 0.940279 0.935430 S\n0.356030 0.059721 0.435430 S\n0.856030 0.440279 0.064569 S\n0.356030 0.440279 0.435430 S\n0.856030 0.059721 0.064569 S\n0.643971 0.940279 0.564569 S\n0.143970 0.559722 0.935430 S\n0.051224 0.250000 0.037385 O\n0.159613 0.448636 0.012010 O\n0.659613 0.051364 0.487990 O\n0.840388 0.948636 0.987990 O\n0.340388 0.551364 0.512010 O\n0.840388 0.551364 0.987990 O\n0.340388 0.948636 0.512010 O\n0.159613 0.051364 0.012010 O\n0.659613 0.448636 0.487990 O\n0.116245 0.560960 0.605934 O\n0.616245 0.939040 0.894066 O\n0.426494 0.103389 0.609871 O\n0.383755 0.439040 0.105934 O\n0.883755 0.439040 0.394066 O\n0.383755 0.060960 0.105934 O\n0.116245 0.939040 0.605934 O\n0.616245 0.560960 0.894066 O\n0.073506 0.603389 0.109871 O\n0.573506 0.896611 0.390129 O\n0.926494 0.103389 0.890129 O\n0.426494 0.396611 0.609871 O\n0.926494 0.396611 0.890129 O\n0.551224 0.250000 0.462614 O\n0.883755 0.060960 0.394066 O\n0.948776 0.750000 0.962614 O\n0.709952 0.866956 0.529089 O\n0.129713 0.250000 0.484489 O\n0.111912 0.750000 0.459097 O\n0.611912 0.750000 0.040903 O\n0.888088 0.250000 0.540902 O\n0.388088 0.250000 0.959097 O\n0.491432 0.649785 0.985061 O\n0.991432 0.850215 0.514938 O\n0.508568 0.149785 0.014938 O\n0.008568 0.350215 0.485061 O\n0.508568 0.350215 0.014938 O\n0.008568 0.149785 0.485061 O\n0.491432 0.850215 0.985061 O\n0.991432 0.649785 0.514938 O\n0.209952 0.633044 0.970911 O\n0.073506 0.896611 0.109871 O\n0.790048 0.133044 0.029089 O\n0.290048 0.366956 0.470911 O\n0.790048 0.366956 0.029089 O\n0.290048 0.133044 0.470911 O\n0.209952 0.866956 0.970911 O\n0.709952 0.633044 0.529089 O\n0.370287 0.750000 0.984489 O\n0.870287 0.750000 0.515511 O\n0.629713 0.250000 0.015511 O\n0.448776 0.750000 0.537385 O\n0.573506 0.603389 0.390129 O\n","nsites":76,"nelements":4,"elements":["Ba","B","S","O"],"chemical_system":"B-Ba-O-S","density":3.2647715520170038,"density_atomic":0.08065820875228595,"volume":942.2475551547142,"volume_molar":7.466246589352043,"formula_full":"Ba4 B8 S12 O52","formula_reduced":"BaB2S3O13","formula_anonymous":"AB2C3D13","energy_above_hull":2.933384559824561,"spacegroup":62},{"id":"jvasp-98358","created_at":"2022-09-04T14:35:55.376393Z","updated_at":"2022-09-04T14:35:55.376419Z","structure_string":"Na3 Cu2 Sb1 O6\n1.0\n5.201294 0.025473 -1.156823\n-2.506213 4.557741 -1.156823\n-0.037152 -0.063180 5.850876\nNa Cu Sb O\n3 2 1 6\ndirect\n0.826889 0.173110 0.500001 Na\n0.173111 0.826889 0.500001 Na\n0.500000 0.500000 0.500001 Na\n0.333277 0.666723 0.000001 Cu\n0.666723 0.333276 0.000000 Cu\n0.000000 0.000000 0.000000 Sb\n0.035705 0.364568 0.226910 O\n0.254827 0.254827 0.824369 O\n0.745173 0.745172 0.175632 O\n0.364568 0.035704 0.226909 O\n0.964295 0.635431 0.773092 O\n0.635432 0.964295 0.773092 O\n","nsites":12,"nelements":4,"elements":["Na","Cu","Sb","O"],"chemical_system":"Cu-Na-O-Sb","density":4.968006001276265,"density_atomic":0.08675713256268017,"volume":138.3171578582344,"volume_molar":6.941378284545231,"formula_full":"Na3 Cu2 Sb1 O6","formula_reduced":"Na3Cu2SbO6","formula_anonymous":"AB2C3D6","energy_above_hull":1.2129204166666667,"spacegroup":12},{"id":"jvasp-98359","created_at":"2022-09-04T14:38:17.753652Z","updated_at":"2022-09-04T14:38:17.753680Z","structure_string":"Ba1 Al2 Si2\n1.0\n3.992864 -0.000000 -1.270942\n-0.404545 3.972318 -1.270942\n0.101912 0.112818 7.227749\nBa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.500000 Al\n0.249999 0.750001 0.500000 Al\n0.361184 0.361186 0.722371 Si\n0.638813 0.638815 0.277630 Si\n","nsites":5,"nelements":3,"elements":["Ba","Al","Si"],"chemical_system":"Al-Ba-Si","density":3.5490172512291713,"density_atomic":0.04318392552030057,"volume":115.78382325732575,"volume_molar":13.945329627731546,"formula_full":"Ba1 Al2 Si2","formula_reduced":"Ba(AlSi)2","formula_anonymous":"AB2C2","energy_above_hull":1.929635754,"spacegroup":139},{"id":"jvasp-98361","created_at":"2022-09-04T14:35:51.947563Z","updated_at":"2022-09-04T14:35:51.947585Z","structure_string":"Tm8 Zn4 S16\n1.0\n6.287939 -0.000000 0.000000\n-0.000000 7.756051 0.000000\n0.000000 0.000000 13.327122\nTm Zn S\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.995938 0.750000 0.734338 Tm\n0.495938 0.250000 0.765662 Tm\n0.004062 0.250000 0.265662 Tm\n0.504062 0.750000 0.234338 Tm\n0.500000 0.000000 0.500000 Tm\n0.411761 0.750000 0.907802 Zn\n0.911761 0.250000 0.592198 Zn\n0.588239 0.250000 0.092198 Zn\n0.088239 0.750000 0.407802 Zn\n0.723569 0.750000 0.409927 S\n0.223569 0.250000 0.090073 S\n0.241242 0.510110 0.831100 S\n0.245453 0.750000 0.571675 S\n0.745453 0.250000 0.928325 S\n0.754548 0.250000 0.428325 S\n0.254547 0.750000 0.071675 S\n0.741242 0.010110 0.668899 S\n0.241242 0.989890 0.831100 S\n0.258758 0.510110 0.331101 S\n0.758758 0.489890 0.168899 S\n0.258758 0.989890 0.331101 S\n0.758758 0.010110 0.168899 S\n0.741242 0.489890 0.668899 S\n0.776432 0.750000 0.909927 S\n0.276431 0.250000 0.590073 S\n","nsites":28,"nelements":3,"elements":["Tm","Zn","S"],"chemical_system":"S-Tm-Zn","density":5.4319727606054435,"density_atomic":0.043079701154642054,"volume":649.958083494803,"volume_molar":13.9790680960912,"formula_full":"Tm8 Zn4 S16","formula_reduced":"Tm2ZnS4","formula_anonymous":"AB2C4","energy_above_hull":1.1551612714285713,"spacegroup":62},{"id":"jvasp-98363","created_at":"2022-09-04T14:35:56.427443Z","updated_at":"2022-09-04T14:35:56.427474Z","structure_string":"Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n","nsites":30,"nelements":3,"elements":["Rb","Si","O"],"chemical_system":"O-Rb-Si","density":3.943939074411832,"density_atomic":0.052316909781480486,"volume":573.4283642765845,"volume_molar":11.510887751500489,"formula_full":"Rb12 Si4 O14","formula_reduced":"Rb6Si2O7","formula_anonymous":"A2B6C7","energy_above_hull":1.2966534466666664,"spacegroup":14},{"id":"jvasp-98366","created_at":"2022-09-04T14:35:58.658141Z","updated_at":"2022-09-04T14:35:58.658164Z","structure_string":"Bi2 P8 H2 O24\n1.0\n6.568346 -0.003359 -2.661646\n-3.521165 7.746035 -1.328927\n0.008659 -0.057539 8.873393\nBi P H O\n2 8 2 24\ndirect\n0.093802 0.259303 0.259153 Bi\n0.906199 0.740696 0.740846 Bi\n0.091826 0.393830 0.664194 P\n0.908175 0.606169 0.335805 P\n0.214639 0.198796 0.893907 P\n0.785362 0.801203 0.106092 P\n0.428463 0.872646 0.160043 P\n0.571538 0.127353 0.839956 P\n0.383684 0.711852 0.418336 P\n0.616317 0.288147 0.581663 P\n0.531363 0.151362 0.244083 H\n0.468638 0.848637 0.755916 H\n0.877017 0.421657 0.301327 O\n0.828828 0.262584 0.578206 O\n0.171173 0.737415 0.421793 O\n0.685700 0.458582 0.708524 O\n0.314301 0.541417 0.291475 O\n0.550649 0.759527 0.602681 O\n0.449352 0.240472 0.397318 O\n0.517937 0.133433 0.649977 O\n0.814972 0.197402 0.955204 O\n0.185029 0.802597 0.044795 O\n0.122984 0.578342 0.698672 O\n0.574514 0.065483 0.190222 O\n0.538809 0.764440 0.094318 O\n0.461192 0.235559 0.905681 O\n0.958208 0.963441 0.251006 O\n0.041793 0.036559 0.748993 O\n0.482064 0.866566 0.350022 O\n0.248179 0.213380 0.072851 O\n0.811779 0.633765 0.149835 O\n0.188222 0.366234 0.850164 O\n0.812921 0.676272 0.441383 O\n0.187080 0.323728 0.558616 O\n0.425487 0.934516 0.809777 O\n0.751822 0.786619 0.927148 O\n","nsites":36,"nelements":4,"elements":["Bi","P","H","O"],"chemical_system":"Bi-H-O-P","density":3.8767651165004127,"density_atomic":0.07991151981873792,"volume":450.4982520875369,"volume_molar":7.536010795014199,"formula_full":"Bi2 P8 H2 O24","formula_reduced":"BiP4HO12","formula_anonymous":"ABC4D12","energy_above_hull":2.981893794444444,"spacegroup":2},{"id":"jvasp-98367","created_at":"2022-09-04T14:36:01.523487Z","updated_at":"2022-09-04T14:36:01.523507Z","structure_string":"Ba6 Te8 O22\n1.0\n7.473914 0.003606 -2.800951\n-2.810478 8.946316 -1.266736\n-0.017155 0.016919 10.033335\nBa Te O\n6 8 22\ndirect\n0.281900 0.544220 0.628075 Ba\n0.307115 0.011560 0.111028 Ba\n0.692884 0.988441 0.888971 Ba\n0.718099 0.455781 0.371924 Ba\n0.855213 0.596663 0.821364 Ba\n0.144786 0.403338 0.178635 Ba\n0.913616 0.112606 0.299761 Te\n0.086383 0.887395 0.700238 Te\n0.524437 0.688518 0.059689 Te\n0.052262 0.760081 0.282359 Te\n0.947737 0.239920 0.717640 Te\n0.568878 0.813082 0.461476 Te\n0.431121 0.186919 0.538523 Te\n0.475562 0.311483 0.940310 Te\n0.664182 0.124022 0.632031 O\n0.071627 0.684264 0.106463 O\n0.928372 0.315737 0.893536 O\n0.335817 0.875979 0.367968 O\n0.857916 0.729453 0.579899 O\n0.528227 0.788732 0.630415 O\n0.142083 0.270548 0.420100 O\n0.211057 0.765272 0.807548 O\n0.788942 0.234729 0.192451 O\n0.998229 0.954559 0.842675 O\n0.001770 0.045442 0.157324 O\n0.594872 0.687102 0.898739 O\n0.534446 0.387304 0.648480 O\n0.405126 0.312899 0.101260 O\n0.402954 0.101915 0.868071 O\n0.737122 0.638642 0.182726 O\n0.262877 0.361359 0.817273 O\n0.069033 0.596056 0.369401 O\n0.930966 0.403945 0.630598 O\n0.471772 0.211269 0.369584 O\n0.597045 0.898086 0.131928 O\n0.465553 0.612697 0.351519 O\n","nsites":36,"nelements":3,"elements":["Ba","Te","O"],"chemical_system":"Ba-O-Te","density":5.437688743257799,"density_atomic":0.05366453247463565,"volume":670.834130848252,"volume_molar":11.22182656272342,"formula_full":"Ba6 Te8 O22","formula_reduced":"Ba3Te4O11","formula_anonymous":"A3B4C11","energy_above_hull":1.9462520820370373,"spacegroup":2},{"id":"jvasp-9837","created_at":"2022-09-04T14:38:07.577657Z","updated_at":"2022-09-04T14:38:07.577670Z","structure_string":"Mo2 W2 O12\n1.0\n0.000000 5.214809 0.001309\n5.361955 0.000000 0.000000\n0.000000 -5.213079 -7.454866\nMo W O\n2 2 12\ndirect\n0.500000 0.000000 -0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.171317 0.714233 0.457487 O\n0.828683 0.214234 0.042513 O\n0.828684 0.285766 0.542513 O\n0.171317 0.785765 0.957488 O\n0.754500 0.784061 0.542482 O\n0.245500 0.284061 0.957519 O\n0.245500 0.215938 0.457519 O\n0.754500 0.715938 0.042481 O\n0.335197 0.511413 0.250918 O\n0.664803 0.011413 0.249082 O\n0.335197 0.988586 0.750918 O\n0.664803 0.488587 0.749082 O\n","nsites":16,"nelements":3,"elements":["Mo","W","O"],"chemical_system":"Mo-O-W","density":5.988022465771258,"density_atomic":0.07677057776992618,"volume":208.41317682863368,"volume_molar":7.844334294380016,"formula_full":"Mo2 W2 O12","formula_reduced":"MoWO6","formula_anonymous":"ABC6","energy_above_hull":3.866267112500001,"spacegroup":14},{"id":"jvasp-98372","created_at":"2022-09-04T14:36:06.456798Z","updated_at":"2022-09-04T14:36:06.456822Z","structure_string":"Ce4 Si12 N20\n1.0\n4.810760 0.000000 0.000000\n0.000000 7.868169 0.000000\n0.000000 0.000000 11.280393\nCe Si N\n4 12 20\ndirect\n0.504553 0.058785 0.170515 Ce\n0.995447 0.941215 0.670515 Ce\n0.004553 0.441215 0.829485 Ce\n0.495447 0.558785 0.329485 Ce\n0.015197 0.337856 0.161249 Si\n0.515197 0.162144 0.838751 Si\n0.984803 0.837856 0.338751 Si\n0.484803 0.662144 0.661249 Si\n0.015359 0.207081 0.416768 Si\n0.984641 0.707081 0.083232 Si\n0.484641 0.792919 0.916768 Si\n0.524167 0.466817 0.040880 Si\n0.024167 0.033183 0.959120 Si\n0.475833 0.966817 0.459120 Si\n0.975833 0.533183 0.540879 Si\n0.515359 0.292919 0.583232 Si\n0.814319 0.018545 0.406215 N\n0.314319 0.481455 0.593784 N\n0.331424 0.706121 0.795269 N\n0.671201 0.389140 0.168312 N\n0.831424 0.793879 0.204731 N\n0.668576 0.206121 0.704731 N\n0.168576 0.293879 0.295269 N\n0.453424 0.842769 0.580353 N\n0.953423 0.657231 0.419647 N\n0.546576 0.342769 0.919647 N\n0.185681 0.518545 0.093784 N\n0.046576 0.157231 0.080353 N\n0.705690 0.649297 0.989085 N\n0.794309 0.350703 0.489085 N\n0.294309 0.149297 0.510915 N\n0.828799 0.610861 0.668312 N\n0.328799 0.889140 0.331687 N\n0.171201 0.110860 0.831687 N\n0.205691 0.850703 0.010915 N\n0.685681 0.981455 0.906215 N\n","nsites":36,"nelements":3,"elements":["Ce","Si","N"],"chemical_system":"Ce-N-Si","density":4.579775023350026,"density_atomic":0.08431229276695956,"volume":426.98399982437365,"volume_molar":7.1426604144727595,"formula_full":"Ce4 Si12 N20","formula_reduced":"CeSi3N5","formula_anonymous":"AB3C5","energy_above_hull":4.761763061111111,"spacegroup":19},{"id":"jvasp-98373","created_at":"2022-09-04T14:36:10.394986Z","updated_at":"2022-09-04T14:36:10.395015Z","structure_string":"Tl2 Zn4 Sb4\n1.0\n6.830440 0.085750 -1.899458\n-3.925207 5.590617 -1.899458\n-0.043888 -0.085750 7.089493\nTl Zn Sb\n2 4 4\ndirect\n0.769850 0.769850 -0.000000 Tl\n0.269840 0.269840 -0.000000 Tl\n0.770621 0.986880 0.499996 Zn\n0.986880 0.486883 0.216258 Zn\n0.486883 0.270625 0.500002 Zn\n0.270624 0.770622 0.783741 Zn\n0.833855 0.641597 0.500001 Sb\n0.333854 0.833856 0.192258 Sb\n0.641597 0.141595 0.807741 Sb\n0.141595 0.333854 0.499998 Sb\n","nsites":10,"nelements":3,"elements":["Tl","Zn","Sb"],"chemical_system":"Sb-Tl-Zn","density":7.094855890748503,"density_atomic":0.03691433239174706,"volume":270.89749027225264,"volume_molar":16.313828179502362,"formula_full":"Tl2 Zn4 Sb4","formula_reduced":"Tl(ZnSb)2","formula_anonymous":"AB2C2","energy_above_hull":0.0,"spacegroup":108}]}