HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=120",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=118",
"results": [
{
"id": "jvasp-88651",
"created_at": "2022-09-04T14:35:51.861040Z",
"updated_at": "2022-09-04T14:35:51.861050Z",
"structure_string": "Bi8 Te4 O20\n1.0\n5.578190 0.000000 0.000000\n-2.789095 8.303524 0.000000\n0.000000 0.000000 11.553980\nBi Te O\n8 4 20\ndirect\n0.437090 0.830402 0.610558 Bi\n0.937090 0.830402 0.389442 Bi\n0.106687 0.169598 0.610558 Bi\n0.258243 0.500000 0.873729 Bi\n0.758243 0.500000 0.126271 Bi\n0.749772 0.500000 0.615479 Bi\n0.249772 0.500000 0.384521 Bi\n0.606687 0.169598 0.389442 Bi\n0.951179 0.838479 0.870867 Te\n0.112701 0.161521 0.129133 Te\n0.451179 0.838479 0.129133 Te\n0.612701 0.161521 0.870867 Te\n0.938815 0.297535 0.063302 O\n0.641279 0.702464 0.936698 O\n0.236892 0.000000 0.500000 O\n0.736892 0.000000 0.500000 O\n0.876308 0.315328 0.788582 O\n0.897131 0.081631 0.256632 O\n0.815498 0.918368 0.743368 O\n0.141279 0.702464 0.063302 O\n0.438815 0.297535 0.936698 O\n0.388500 0.500000 0.704137 O\n0.888500 0.500000 0.295863 O\n0.630924 0.675829 0.511531 O\n0.955095 0.324171 0.488469 O\n0.130924 0.675829 0.488469 O\n0.455095 0.324171 0.511531 O\n0.060980 0.684672 0.788582 O\n0.376308 0.315328 0.211418 O\n0.560980 0.684672 0.211418 O\n0.315498 0.918368 0.256632 O\n0.397131 0.081631 0.743368 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Bi",
"Te",
"O"
],
"chemical_system": "Bi-O-Te",
"density": 7.764065184624278,
"density_atomic": 0.05979469002260801,
"volume": 535.1645771204934,
"volume_molar": 10.071363791204647,
"formula_full": "Bi8 Te4 O20",
"formula_reduced": "Bi2TeO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.9834167333333332,
"spacegroup": 39
},
{
"id": "jvasp-97659",
"created_at": "2022-09-04T14:35:48.920204Z",
"updated_at": "2022-09-04T14:35:48.920239Z",
"structure_string": "Li2 B26 C4\n1.0\n5.229134 0.000012 2.198589\n1.859493 6.454275 2.895220\n0.001515 0.002896 7.314267\nLi B C\n2 26 4\ndirect\n0.748807 0.945549 0.556392 Li\n0.248823 0.058847 0.443145 Li\n0.089109 0.912054 0.228689 B\n0.247960 0.388034 0.113860 B\n0.571723 0.605369 0.249050 B\n0.322747 0.879067 0.979308 B\n0.071723 0.751477 0.102939 B\n0.227950 0.092277 0.770789 B\n0.727950 0.273218 0.589847 B\n0.924234 0.252856 0.896536 B\n0.165145 0.847322 0.820264 B\n0.768013 0.912054 0.228711 B\n0.747962 0.616291 0.885606 B\n0.316745 0.481731 0.376639 B\n0.830826 0.157006 0.179215 B\n0.906875 0.092281 0.770766 B\n0.589105 0.731124 0.409624 B\n0.424231 0.398967 0.750424 B\n0.330822 0.681645 0.654576 B\n0.406872 0.273197 0.589850 B\n0.673215 0.125261 0.020171 B\n0.679218 0.522599 0.622830 B\n0.268014 0.731147 0.409621 B\n0.816746 0.879069 0.979300 B\n0.173215 0.522610 0.622823 B\n0.179220 0.125258 0.020165 B\n0.822746 0.481738 0.376640 B\n0.665145 0.322689 0.344898 B\n0.378571 0.251175 0.989544 C\n0.617397 0.753147 0.009926 C\n0.117396 0.512352 0.250722 C\n0.878564 0.491981 0.748742 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.30782710192494,
"density_atomic": 0.12965711551788087,
"volume": 246.80481184688176,
"volume_molar": 4.644666616210118,
"formula_full": "Li2 B26 C4",
"formula_reduced": "LiB13C2",
"formula_anonymous": "AB2C13",
"energy_above_hull": 5.5216464739583335,
"spacegroup": 74
},
{
"id": "jvasp-23323",
"created_at": "2022-09-04T14:37:31.727906Z",
"updated_at": "2022-09-04T14:37:31.727928Z",
"structure_string": "Mn4 Se8 O20\n1.0\n5.863616 -0.000000 0.000000\n-0.000000 6.935945 0.000000\n0.000000 0.000000 9.901159\nMn Se O\n4 8 20\ndirect\n0.250000 0.000000 0.057414 Mn\n0.750001 0.500000 0.442586 Mn\n0.750001 0.000000 0.942586 Mn\n0.250000 0.500000 0.557414 Mn\n0.510716 0.367685 0.155823 Se\n0.489284 0.867684 0.344177 Se\n0.989285 0.632315 0.155823 Se\n0.010716 0.132315 0.344177 Se\n0.989285 0.867684 0.655823 Se\n0.510716 0.132315 0.655823 Se\n0.010716 0.367685 0.844177 Se\n0.489284 0.632315 0.844177 Se\n0.648552 0.184383 0.806385 O\n0.451707 0.860319 0.924174 O\n0.951707 0.639680 0.575827 O\n0.451707 0.639680 0.424173 O\n0.951707 0.860319 0.075827 O\n0.548294 0.139680 0.075827 O\n0.048293 0.360319 0.424173 O\n0.148552 0.315617 0.693615 O\n0.851449 0.815617 0.806385 O\n0.250000 0.500000 0.932689 O\n0.851449 0.684382 0.306385 O\n0.351448 0.815617 0.193615 O\n0.148552 0.184383 0.193615 O\n0.648552 0.315617 0.306385 O\n0.048293 0.139680 0.924174 O\n0.750001 0.000000 0.567311 O\n0.750001 0.500000 0.067311 O\n0.250000 0.000000 0.432689 O\n0.351448 0.684382 0.693615 O\n0.548294 0.360319 0.575827 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.830639209385236,
"density_atomic": 0.07946809122512105,
"volume": 402.67734516673937,
"volume_molar": 7.578061417053782,
"formula_full": "Mn4 Se8 O20",
"formula_reduced": "MnSe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6752189343390804,
"spacegroup": 60
},
{
"id": "jvasp-31950",
"created_at": "2022-09-04T14:37:14.924291Z",
"updated_at": "2022-09-04T14:37:14.924314Z",
"structure_string": "P4 Br28\n1.0\n7.593622 -0.000000 0.000000\n0.000000 9.583913 0.000000\n0.000000 0.000000 14.250104\nP Br\n4 28\ndirect\n0.750000 0.382751 0.654860 P\n0.750000 0.882751 0.845139 P\n0.250000 0.117249 0.154860 P\n0.250000 0.617249 0.345140 P\n0.520026 0.757852 0.885996 Br\n0.750000 0.439477 0.026587 Br\n0.520026 0.257852 0.614004 Br\n0.250000 0.576216 0.699664 Br\n0.750000 0.579854 0.577610 Br\n0.750000 0.923783 0.199664 Br\n0.250000 0.305505 0.874927 Br\n0.250000 0.060523 0.526587 Br\n0.479974 0.242148 0.114004 Br\n0.750000 0.939477 0.473413 Br\n0.250000 0.920145 0.077610 Br\n0.750000 0.194494 0.374927 Br\n0.750000 0.694494 0.125073 Br\n0.750000 0.925089 0.693645 Br\n0.250000 0.574910 0.193646 Br\n0.250000 0.420145 0.422390 Br\n0.020026 0.742148 0.385996 Br\n0.750000 0.079855 0.922390 Br\n0.250000 0.560522 0.973413 Br\n0.250000 0.074910 0.306354 Br\n0.020026 0.242148 0.114004 Br\n0.250000 0.076217 0.800336 Br\n0.979974 0.257852 0.614004 Br\n0.750000 0.425090 0.806354 Br\n0.750000 0.423783 0.300336 Br\n0.250000 0.805505 0.625073 Br\n0.979974 0.757852 0.885996 Br\n0.479974 0.742148 0.385996 Br\n",
"nsites": 32,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.780709399259073,
"density_atomic": 0.03085603418254584,
"volume": 1037.0742983588364,
"volume_molar": 19.516898135297343,
"formula_full": "P4 Br28",
"formula_reduced": "PBr7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.320536779375,
"spacegroup": 62
},
{
"id": "jvasp-23312",
"created_at": "2022-09-04T14:37:32.540764Z",
"updated_at": "2022-09-04T14:37:32.540784Z",
"structure_string": "Li2 Ni4 P6 O20\n1.0\n0.000000 4.657972 0.276479\n8.186762 0.000000 0.000000\n0.000000 -1.801689 -9.256753\nLi Ni P O\n2 4 6 20\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.950522 0.565207 0.671772 Ni\n0.049477 0.065207 0.328227 Ni\n0.049477 0.434793 0.328227 Ni\n0.950522 0.934792 0.671772 Ni\n0.514715 0.750000 0.865487 P\n0.677808 0.750000 0.179049 P\n0.485284 0.250000 0.134513 P\n0.415996 0.750000 0.450929 P\n0.584003 0.250000 0.549071 P\n0.322191 0.250000 0.820950 P\n0.320122 0.093938 0.143304 O\n0.570732 0.250000 0.972428 O\n0.429267 0.750000 0.027572 O\n0.519468 0.250000 0.708759 O\n0.480531 0.750000 0.291241 O\n0.803684 0.250000 0.239268 O\n0.196315 0.750000 0.760731 O\n0.679877 0.593938 0.856695 O\n0.320122 0.406062 0.143304 O\n0.754398 0.094548 0.536796 O\n0.142493 0.094572 0.813927 O\n0.857506 0.594572 0.186072 O\n0.245601 0.905452 0.463204 O\n0.754398 0.405452 0.536796 O\n0.857506 0.905428 0.186072 O\n0.245601 0.594548 0.463204 O\n0.722239 0.750000 0.565089 O\n0.277760 0.250000 0.434910 O\n0.679877 0.906062 0.856695 O\n0.142493 0.405428 0.813927 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.590700504438291,
"density_atomic": 0.09171255214343395,
"volume": 348.91625248802984,
"volume_molar": 6.566321206045675,
"formula_full": "Li2 Ni4 P6 O20",
"formula_reduced": "LiNi2P3O10",
"formula_anonymous": "AB2C3D10",
"energy_above_hull": 2.67646976875,
"spacegroup": 11
},
{
"id": "jvasp-22931",
"created_at": "2022-09-04T14:37:32.670447Z",
"updated_at": "2022-09-04T14:37:32.670467Z",
"structure_string": "Ca20 Sb12\n1.0\n8.234640 0.000000 0.000000\n0.000000 9.540718 0.000000\n0.000000 0.000000 12.558001\nCa Sb\n20 12\ndirect\n0.307938 0.959673 0.077963 Ca\n0.964255 0.750000 0.003979 Ca\n0.464255 0.250000 0.496021 Ca\n0.035745 0.250000 0.996021 Ca\n0.535745 0.750000 0.503979 Ca\n0.845138 0.250000 0.706978 Ca\n0.654862 0.250000 0.206978 Ca\n0.154862 0.750000 0.293022 Ca\n0.819471 0.750000 0.727375 Ca\n0.319471 0.250000 0.772625 Ca\n0.345138 0.750000 0.793022 Ca\n0.680529 0.750000 0.227375 Ca\n0.807938 0.459673 0.422037 Ca\n0.307938 0.540327 0.077963 Ca\n0.192062 0.959673 0.577963 Ca\n0.692062 0.040327 0.922037 Ca\n0.192062 0.540327 0.577963 Ca\n0.692062 0.459673 0.922037 Ca\n0.807938 0.040327 0.422037 Ca\n0.180529 0.250000 0.272625 Ca\n0.074326 0.250000 0.514661 Sb\n0.574326 0.750000 0.985339 Sb\n0.439683 0.510728 0.328599 Sb\n0.939683 0.489272 0.171401 Sb\n0.560317 0.010728 0.671401 Sb\n0.439683 0.989272 0.328599 Sb\n0.560317 0.489272 0.671401 Sb\n0.060317 0.510728 0.828599 Sb\n0.939683 0.010728 0.171401 Sb\n0.425674 0.250000 0.014661 Sb\n0.060317 0.989272 0.828599 Sb\n0.925674 0.750000 0.485339 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ca",
"Sb"
],
"chemical_system": "Ca-Sb",
"density": 3.8082552139609143,
"density_atomic": 0.03243424463931548,
"volume": 986.6115383865265,
"volume_molar": 18.567229873761892,
"formula_full": "Ca20 Sb12",
"formula_reduced": "Ca5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.35368725625,
"spacegroup": 62
},
{
"id": "jvasp-22976",
"created_at": "2022-09-04T14:37:32.718733Z",
"updated_at": "2022-09-04T14:37:32.718759Z",
"structure_string": "Ca4 Ti4 Ge4 O20\n1.0\n0.000000 6.700561 -0.036093\n8.962680 0.000000 0.000000\n0.000000 -2.928827 -6.574523\nCa Ti Ge O\n4 4 4 20\ndirect\n0.749891 0.423789 0.754044 Ca\n0.250107 0.923789 0.745955 Ca\n0.250108 0.576211 0.245955 Ca\n0.749892 0.076211 0.254044 Ca\n0.250610 0.247483 0.990869 Ti\n0.749389 0.747483 0.509130 Ti\n0.749389 0.752517 0.009130 Ti\n0.250610 0.252517 0.490869 Ti\n0.750916 0.068259 0.751546 Ge\n0.249082 0.568259 0.748453 Ge\n0.750917 0.431741 0.251546 Ge\n0.249083 0.931741 0.248453 Ge\n0.059200 0.693274 0.575168 O\n0.438768 0.807041 0.422846 O\n0.561232 0.307041 0.077153 O\n0.249459 0.182149 0.749492 O\n0.750540 0.682149 0.750506 O\n0.750540 0.817851 0.250507 O\n0.249459 0.317851 0.249493 O\n0.940798 0.193274 0.924830 O\n0.059201 0.806726 0.075169 O\n0.142828 0.042256 0.392831 O\n0.357496 0.458744 0.605223 O\n0.642503 0.958744 0.894775 O\n0.642503 0.541256 0.394776 O\n0.357496 0.041256 0.105224 O\n0.438767 0.692959 0.922846 O\n0.857171 0.542256 0.107168 O\n0.857171 0.957744 0.607168 O\n0.142828 0.457744 0.892831 O\n0.940799 0.306726 0.424831 O\n0.561231 0.192959 0.577153 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Ti",
"density": 4.037551027853174,
"density_atomic": 0.08085293371513125,
"volume": 395.78032026327514,
"volume_molar": 7.448264995822885,
"formula_full": "Ca4 Ti4 Ge4 O20",
"formula_reduced": "CaTiGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.0133765254166667,
"spacegroup": 14
},
{
"id": "jvasp-22967",
"created_at": "2022-09-04T14:37:33.009801Z",
"updated_at": "2022-09-04T14:37:33.009821Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401977 0.000000 0.000000\n-0.000000 7.286612 0.000000\n0.000000 0.000000 11.329547\nPr Si Te O\n8 4 4 16\ndirect\n0.388774 0.750000 0.500000 Pr\n0.388774 0.750000 0.000000 Pr\n0.611227 0.250000 0.500000 Pr\n0.611227 0.250000 0.000000 Pr\n0.886548 0.538648 0.750000 Pr\n0.886548 0.961351 0.250000 Pr\n0.113452 0.038649 0.750000 Pr\n0.113452 0.461351 0.250000 Pr\n0.112797 0.250000 0.000000 Si\n0.887204 0.750000 0.000000 Si\n0.887204 0.750000 0.500000 Si\n0.112797 0.250000 0.500000 Si\n0.401152 0.426569 0.750000 Te\n0.401152 0.073431 0.250000 Te\n0.598848 0.926568 0.750000 Te\n0.598848 0.573431 0.250000 Te\n0.952051 0.230261 0.114832 O\n0.952051 0.269739 0.885168 O\n0.952051 0.269739 0.614832 O\n0.952051 0.230261 0.385168 O\n0.047949 0.730261 0.385168 O\n0.047949 0.730261 0.114832 O\n0.267411 0.422243 0.464194 O\n0.267411 0.077757 0.535806 O\n0.732589 0.577756 0.964194 O\n0.732589 0.577756 0.535806 O\n0.732589 0.922243 0.464194 O\n0.267411 0.077757 0.964194 O\n0.267411 0.422243 0.035806 O\n0.047949 0.769739 0.614832 O\n0.732589 0.922243 0.035806 O\n0.047949 0.769739 0.885168 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Te",
"O"
],
"chemical_system": "O-Pr-Si-Te",
"density": 6.3026957209014425,
"density_atomic": 0.06054770393976905,
"volume": 528.5088932824372,
"volume_molar": 9.946109213308297,
"formula_full": "Pr8 Si4 Te4 O16",
"formula_reduced": "Pr2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.102797508333333,
"spacegroup": 57
},
{
"id": "jvasp-23021",
"created_at": "2022-09-04T14:37:41.717795Z",
"updated_at": "2022-09-04T14:37:41.717815Z",
"structure_string": "K12 P4 S16\n1.0\n8.980977 0.000000 0.000000\n-0.000000 9.078173 0.000000\n0.000000 0.000000 10.470199\nK P S\n12 4 16\ndirect\n0.646300 0.414446 0.250000 K\n0.853701 0.914446 0.750000 K\n0.146299 0.085554 0.250000 K\n0.353701 0.585554 0.750000 K\n0.450671 0.797482 0.042542 K\n0.049329 0.297482 0.957458 K\n0.950671 0.702518 0.457458 K\n0.549329 0.202518 0.542542 K\n0.549329 0.202518 0.957458 K\n0.950671 0.702518 0.042542 K\n0.049329 0.297482 0.542542 K\n0.450671 0.797482 0.457458 K\n0.220754 0.520297 0.250000 P\n0.279246 0.020297 0.750000 P\n0.720754 0.979702 0.250000 P\n0.779247 0.479702 0.750000 P\n0.333181 0.458922 0.086994 S\n0.166820 0.958922 0.913006 S\n0.166820 0.958922 0.586994 S\n0.333181 0.458922 0.413006 S\n0.666820 0.541078 0.913006 S\n0.833181 0.041078 0.086994 S\n0.487777 0.921172 0.750000 S\n0.012224 0.421172 0.250000 S\n0.512224 0.078828 0.250000 S\n0.302289 0.246155 0.750000 S\n0.197711 0.746155 0.250000 S\n0.802289 0.253845 0.750000 S\n0.697711 0.753845 0.250000 S\n0.666820 0.541078 0.586994 S\n0.987777 0.578827 0.750000 S\n0.833181 0.041078 0.413006 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"P",
"S"
],
"chemical_system": "K-P-S",
"density": 2.1516531621145885,
"density_atomic": 0.03748633684397173,
"volume": 853.6443593619898,
"volume_molar": 16.06489528455602,
"formula_full": "K12 P4 S16",
"formula_reduced": "K3PS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9923886875,
"spacegroup": 62
},
{
"id": "jvasp-22193",
"created_at": "2022-09-04T14:37:33.267651Z",
"updated_at": "2022-09-04T14:37:33.267678Z",
"structure_string": "Dy8 B16 C8\n1.0\n6.783936 -0.000000 0.000000\n0.000000 6.783936 -0.000000\n-0.000000 0.000000 7.491189\nDy B C\n8 16 8\ndirect\n0.309346 0.809347 0.750000 Dy\n0.190654 0.309346 0.250000 Dy\n0.809347 0.690654 0.250000 Dy\n0.690654 0.190654 0.750000 Dy\n0.690654 0.190654 0.250000 Dy\n0.809347 0.690654 0.750000 Dy\n0.190654 0.309346 0.750000 Dy\n0.309346 0.809347 0.250000 Dy\n0.905282 0.403079 0.500000 B\n0.094719 0.596922 0.500000 B\n0.903079 0.405282 0.000000 B\n0.403079 0.094719 0.000000 B\n0.596922 0.905282 0.000000 B\n0.594719 0.903079 0.500000 B\n0.405282 0.096922 0.500000 B\n0.096922 0.594719 0.000000 B\n0.465550 0.347794 0.500000 B\n0.965550 0.152207 0.500000 B\n0.034450 0.847794 0.500000 B\n0.652207 0.465550 0.000000 B\n0.347794 0.534451 0.000000 B\n0.847794 0.965550 0.000000 B\n0.534451 0.652207 0.500000 B\n0.152207 0.034450 0.000000 B\n0.177326 0.040592 0.500000 C\n0.677327 0.459408 0.500000 C\n0.322674 0.540593 0.500000 C\n0.959408 0.177326 0.000000 C\n0.040592 0.822674 0.000000 C\n0.540593 0.677327 0.000000 C\n0.822674 0.959408 0.500000 C\n0.459408 0.322674 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"B",
"C"
],
"chemical_system": "B-C-Dy",
"density": 7.557442522746919,
"density_atomic": 0.09281875520669305,
"volume": 344.75790941971735,
"volume_molar": 6.488064558277713,
"formula_full": "Dy8 B16 C8",
"formula_reduced": "DyB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9421879166666662,
"spacegroup": 135
},
{
"id": "jvasp-22866",
"created_at": "2022-09-04T14:37:32.393382Z",
"updated_at": "2022-09-04T14:37:32.393401Z",
"structure_string": "Rb12 Ta4 S16\n1.0\n9.595489 0.000000 0.000000\n-0.000000 9.649068 0.000000\n0.000000 0.000000 10.994440\nRb Ta S\n12 4 16\ndirect\n0.051209 0.290181 0.542266 Rb\n0.857747 0.916068 0.750000 Rb\n0.142253 0.083932 0.250000 Rb\n0.642253 0.416068 0.250000 Rb\n0.948791 0.709819 0.457734 Rb\n0.448791 0.790181 0.042266 Rb\n0.551210 0.209819 0.542266 Rb\n0.051209 0.290181 0.957734 Rb\n0.948791 0.709819 0.042266 Rb\n0.551210 0.209819 0.957734 Rb\n0.448791 0.790181 0.457734 Rb\n0.357747 0.583932 0.750000 Rb\n0.217690 0.515179 0.250000 Ta\n0.717690 0.984821 0.250000 Ta\n0.282310 0.015179 0.750000 Ta\n0.782310 0.484821 0.750000 Ta\n0.833010 0.050583 0.422226 S\n0.166990 0.949417 0.922226 S\n0.166990 0.949417 0.577774 S\n0.666990 0.550583 0.922226 S\n0.333010 0.449417 0.422226 S\n0.833010 0.050583 0.077774 S\n-0.002078 0.421283 0.250000 S\n0.497922 0.078717 0.250000 S\n0.002078 0.578718 0.750000 S\n0.699302 0.748946 0.250000 S\n0.199302 0.751054 0.250000 S\n0.800698 0.248946 0.750000 S\n0.300698 0.251054 0.750000 S\n0.333010 0.449417 0.077774 S\n0.502078 0.921283 0.750000 S\n0.666990 0.550583 0.577774 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"S"
],
"chemical_system": "Rb-S-Ta",
"density": 3.6906389286007806,
"density_atomic": 0.03143579050269318,
"volume": 1017.9479977530225,
"volume_molar": 19.156956652590203,
"formula_full": "Rb12 Ta4 S16",
"formula_reduced": "Rb3TaS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.4947186499999998,
"spacegroup": 62
},
{
"id": "jvasp-97858",
"created_at": "2022-09-04T14:37:41.215123Z",
"updated_at": "2022-09-04T14:37:41.215146Z",
"structure_string": "B4 N4 O8 F16\n1.0\n6.191948 0.000000 -1.479603\n0.000000 6.745389 0.000000\n0.200659 0.000000 9.055710\nB N O F\n4 4 8 16\ndirect\n0.258620 0.805326 0.502935 B\n0.258619 0.694675 0.002935 B\n0.741381 0.305326 0.997066 B\n0.741381 0.194675 0.497066 B\n0.239628 0.239883 0.242265 N\n0.239628 0.260117 0.742265 N\n0.760373 0.760117 0.757736 N\n0.760373 0.739883 0.257736 N\n0.658859 0.826108 0.834902 O\n0.341141 0.326107 0.665099 O\n0.137140 0.194448 0.818967 O\n0.137140 0.305552 0.318967 O\n0.862860 0.805552 0.181033 O\n0.341141 0.173893 0.165099 O\n0.658859 0.673893 0.334902 O\n0.862861 0.694449 0.681033 O\n0.555516 0.308556 0.439556 F\n0.083172 0.824929 0.954715 F\n0.444484 0.808556 0.060444 F\n0.785196 0.431423 0.882054 F\n0.916828 0.175071 0.045285 F\n0.444484 0.691444 0.560444 F\n0.290892 0.919223 0.378165 F\n0.214805 0.568577 0.117946 F\n0.083172 0.675071 0.454715 F\n0.709109 0.419223 0.121835 F\n0.555516 0.191444 0.939556 F\n0.214805 0.931423 0.617946 F\n0.785196 0.068577 0.382054 F\n0.709109 0.080777 0.621835 F\n0.290892 0.580778 0.878165 F\n0.916828 0.324929 0.545285 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"B",
"N",
"O",
"F"
],
"chemical_system": "B-F-N-O",
"density": 2.320010593024359,
"density_atomic": 0.08415883439088225,
"volume": 380.2334030836681,
"volume_molar": 7.155684609448961,
"formula_full": "B4 N4 O8 F16",
"formula_reduced": "BN(OF2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7987479954166663,
"spacegroup": 14
}
]
}