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=633",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=631",
"results": [
{
"id": "jvasp-52525",
"created_at": "2022-09-04T14:37:28.890207Z",
"updated_at": "2022-09-04T14:37:28.890235Z",
"structure_string": "Li4 Ag4 F12\n1.0\n6.678920 0.057062 -0.068354\n-0.269782 6.673712 0.068354\n-0.259402 0.247005 5.946871\nLi Ag F\n4 4 12\ndirect\n0.096892 0.730614 0.306517 Li\n0.269386 0.903109 0.806517 Li\n0.730615 0.096891 0.193483 Li\n0.903109 0.269386 0.693483 Li\n0.211025 0.211024 0.250000 Ag\n0.409593 0.409593 0.750000 Ag\n0.590408 0.590408 0.250000 Ag\n0.788976 0.788976 0.750000 Ag\n0.802467 0.074471 0.895328 F\n0.707998 0.475581 0.664870 F\n0.619514 0.876026 0.354054 F\n0.524420 0.292002 0.164870 F\n0.475581 0.707998 0.835130 F\n0.123975 0.380486 0.854054 F\n0.292003 0.524419 0.335130 F\n0.197533 0.925529 0.104672 F\n0.876026 0.619514 0.145946 F\n0.074471 0.802467 0.604672 F\n0.380486 0.123975 0.645946 F\n0.925530 0.197533 0.395328 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.307289545814045,
"density_atomic": 0.0754902159040179,
"volume": 264.9349953566038,
"volume_molar": 7.9773791714370725,
"formula_full": "Li4 Ag4 F12",
"formula_reduced": "LiAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0095179999999999,
"spacegroup": 15
},
{
"id": "jvasp-21352",
"created_at": "2022-09-04T14:37:14.762322Z",
"updated_at": "2022-09-04T14:37:14.762336Z",
"structure_string": "Ca2 Si4 W2 O12\n1.0\n4.943198 -0.053343 0.961701\n1.042048 6.732058 0.965328\n-0.174646 0.386164 6.867220\nCa Si W O\n2 4 2 12\ndirect\n0.750000 0.278863 0.721137 Ca\n0.250001 0.721137 0.278864 Ca\n0.290896 0.206220 0.397814 Si\n0.209103 0.602186 0.793780 Si\n0.790896 0.397815 0.206220 Si\n0.709104 0.793780 0.602186 Si\n0.249998 0.066039 0.933962 W\n0.749999 0.933964 0.066038 W\n0.639566 0.942565 0.767435 O\n0.860434 0.232565 0.057435 O\n0.677494 0.622440 0.112577 O\n0.822506 0.887425 0.377560 O\n0.322505 0.377559 0.887423 O\n0.942872 0.601836 0.678360 O\n0.057127 0.398164 0.321640 O\n0.442873 0.678360 0.601837 O\n0.360433 0.057436 0.232565 O\n0.557128 0.321641 0.398163 O\n0.177494 0.112575 0.622440 O\n0.139567 0.767436 0.942565 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Si",
"W",
"O"
],
"chemical_system": "Ca-O-Si-W",
"density": 5.463914675000354,
"density_atomic": 0.08749199858556825,
"volume": 228.59233213697541,
"volume_molar": 6.883076003927688,
"formula_full": "Ca2 Si4 W2 O12",
"formula_reduced": "CaSi2WO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.128180862,
"spacegroup": 15
},
{
"id": "jvasp-58270",
"created_at": "2022-09-04T14:37:18.816548Z",
"updated_at": "2022-09-04T14:37:18.816579Z",
"structure_string": "Li2 Ti2 Si4 O12\n1.0\n5.140040 0.011702 1.349932\n1.507486 6.356445 0.789669\n0.001168 0.118806 6.579239\nLi Ti Si O\n2 2 4 12\ndirect\n0.750000 0.267028 0.732973 Li\n0.250000 0.732973 0.267027 Li\n0.250000 0.086824 0.913176 Ti\n0.750000 0.913177 0.086824 Ti\n0.221393 0.204050 0.391429 Si\n0.278608 0.608572 0.795950 Si\n0.778608 0.795951 0.608571 Si\n0.721393 0.391429 0.204049 Si\n0.169700 0.110747 0.634565 O\n0.330302 0.365436 0.889254 O\n0.425603 0.364361 0.344701 O\n0.074398 0.655300 0.635639 O\n0.836880 0.215746 0.026333 O\n0.574398 0.635640 0.655299 O\n0.163120 0.784255 0.973667 O\n0.336880 0.026333 0.215745 O\n0.669700 0.634565 0.110746 O\n0.830301 0.889254 0.365435 O\n0.925603 0.344701 0.364361 O\n0.663121 0.973668 0.784254 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.20318865218138,
"density_atomic": 0.09319973750956481,
"volume": 214.592879061998,
"volume_molar": 6.4615426190250425,
"formula_full": "Li2 Ti2 Si4 O12",
"formula_reduced": "LiTi(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.735453653333334,
"spacegroup": 15
},
{
"id": "jvasp-21346",
"created_at": "2022-09-04T14:37:09.570254Z",
"updated_at": "2022-09-04T14:37:09.570275Z",
"structure_string": "Mg2 Mn2 Si4 O12\n1.0\n5.244419 0.116516 1.206436\n1.449151 6.608522 0.524786\n0.159013 -0.120432 6.782936\nMg Mn Si O\n2 2 4 12\ndirect\n0.750000 0.240039 0.759962 Mg\n0.250001 0.759961 0.240040 Mg\n0.249998 0.105754 0.894248 Mn\n0.749999 0.894249 0.105754 Mn\n0.230877 0.213803 0.386834 Si\n0.269121 0.613166 0.786198 Si\n0.730877 0.386834 0.213803 Si\n0.769122 0.786198 0.613167 Si\n0.658702 0.968606 0.783219 O\n0.841298 0.216782 0.031395 O\n0.623399 0.617895 0.141800 O\n0.876600 0.858202 0.382107 O\n0.376599 0.382105 0.858201 O\n0.026440 0.622100 0.672804 O\n0.973558 0.377901 0.327197 O\n0.526441 0.672804 0.622102 O\n0.341297 0.031395 0.216783 O\n0.473559 0.327198 0.377900 O\n0.123400 0.141799 0.617895 O\n0.158702 0.783218 0.968607 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.301260801408675,
"density_atomic": 0.08591080337114335,
"volume": 232.7995923120167,
"volume_molar": 7.009759568867893,
"formula_full": "Mg2 Mn2 Si4 O12",
"formula_reduced": "MgMn(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.6241974491379305,
"spacegroup": 15
},
{
"id": "jvasp-36701",
"created_at": "2022-09-04T14:38:02.607307Z",
"updated_at": "2022-09-04T14:38:02.607317Z",
"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Re",
"N"
],
"chemical_system": "Ba-N-Re",
"density": 6.323548629267384,
"density_atomic": 0.052087091844016144,
"volume": 383.9722912519954,
"volume_molar": 11.561675929296163,
"formula_full": "Ba4 Re4 N12",
"formula_reduced": "BaReN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.596794744,
"spacegroup": 15
},
{
"id": "jvasp-20320",
"created_at": "2022-09-04T14:37:45.769327Z",
"updated_at": "2022-09-04T14:37:45.769352Z",
"structure_string": "U4 B16\n1.0\n7.046886 -0.000000 0.000000\n-0.000000 7.046886 0.000000\n-0.000000 -0.000000 3.975852\nU B\n4 16\ndirect\n0.810945 0.310945 0.000000 U\n0.310945 0.189056 0.000000 U\n0.689056 0.810945 0.000000 U\n0.189056 0.689056 0.000000 U\n0.538544 0.321381 0.500000 B\n0.461457 0.678620 0.500000 B\n0.961457 0.821381 0.500000 B\n0.821381 0.038544 0.500000 B\n0.178620 0.961457 0.500000 B\n0.038544 0.178620 0.500000 B\n0.412725 0.912725 0.500000 B\n0.087276 0.412725 0.500000 B\n0.678620 0.538544 0.500000 B\n0.587276 0.087276 0.500000 B\n0.500000 0.500000 0.199750 B\n0.000000 0.000000 0.800249 B\n0.500000 0.500000 0.800249 B\n0.000000 0.000000 0.199750 B\n0.912725 0.587276 0.500000 B\n0.321381 0.461457 0.500000 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"U",
"B"
],
"chemical_system": "B-U",
"density": 9.462639477395982,
"density_atomic": 0.10129903180811893,
"volume": 197.43525325971612,
"volume_molar": 5.944914430581297,
"formula_full": "U4 B16",
"formula_reduced": "UB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.986731266666667,
"spacegroup": 127
},
{
"id": "jvasp-36989",
"created_at": "2022-09-04T14:38:00.461350Z",
"updated_at": "2022-09-04T14:38:00.461364Z",
"structure_string": "Tl4 Ge4 Br12\n1.0\n4.188488 0.000000 0.000000\n0.000000 9.341661 0.000000\n0.000000 0.000000 15.580417\nTl Ge Br\n4 4 12\ndirect\n0.750000 0.081978 0.328585 Tl\n0.250000 0.918021 0.671415 Tl\n0.750000 0.581978 0.171415 Tl\n0.250000 0.418021 0.828585 Tl\n0.250000 0.162838 0.062038 Ge\n0.750000 0.837162 0.937962 Ge\n0.250000 0.662838 0.437962 Ge\n0.750000 0.337162 0.562038 Ge\n0.750000 0.701059 0.789798 Br\n0.250000 0.298941 0.210202 Br\n0.750000 0.474453 0.383347 Br\n0.250000 0.525547 0.616653 Br\n0.750000 0.974453 0.116653 Br\n0.250000 0.663521 0.004097 Br\n0.250000 0.163521 0.495903 Br\n0.750000 0.836479 0.504097 Br\n0.250000 0.798941 0.289798 Br\n0.750000 0.336479 0.995903 Br\n0.250000 0.025547 0.883347 Br\n0.750000 0.201059 0.710202 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Br"
],
"chemical_system": "Br-Ge-Tl",
"density": 5.630108492226369,
"density_atomic": 0.032807228232690416,
"volume": 609.6217534180839,
"volume_molar": 18.35614004720856,
"formula_full": "Tl4 Ge4 Br12",
"formula_reduced": "TlGeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-56505",
"created_at": "2022-09-04T14:38:00.424771Z",
"updated_at": "2022-09-04T14:38:00.424789Z",
"structure_string": "Ag4 Te12 I4\n1.0\n4.765562 0.000000 0.000000\n-0.000000 8.875779 0.000000\n0.000000 0.000000 16.440063\nAg Te I\n4 12 4\ndirect\n0.302970 0.750000 0.250000 Ag\n0.302970 0.750000 0.750000 Ag\n0.697030 0.250000 0.250000 Ag\n0.697030 0.250000 0.750000 Ag\n0.646128 0.639151 0.625476 Te\n0.353871 0.360849 0.625476 Te\n0.646128 0.860849 0.874524 Te\n0.353871 0.139151 0.125476 Te\n0.633331 0.287571 0.000000 Te\n0.353871 0.360849 0.374524 Te\n0.646128 0.639151 0.374524 Te\n0.633331 0.212429 0.500000 Te\n0.353871 0.139151 0.874524 Te\n0.366668 0.787571 0.500000 Te\n0.646128 0.860849 0.125476 Te\n0.366668 0.712429 0.000000 Te\n0.000000 0.000000 0.673709 I\n0.000000 0.500000 0.826291 I\n0.000000 0.500000 0.173709 I\n0.000000 0.000000 0.326291 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Te",
"I"
],
"chemical_system": "Ag-I-Te",
"density": 5.898927732219036,
"density_atomic": 0.028761127940430897,
"volume": 695.3830197975317,
"volume_molar": 20.938472136673017,
"formula_full": "Ag4 Te12 I4",
"formula_reduced": "AgTe3I",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.442845367,
"spacegroup": 53
},
{
"id": "jvasp-37494",
"created_at": "2022-09-04T14:38:05.482652Z",
"updated_at": "2022-09-04T14:38:05.482674Z",
"structure_string": "Sm6 Sb8 Au6\n1.0\n-5.013880 5.013884 5.013884\n5.013884 -5.013880 5.013884\n5.013884 5.013884 -5.013880\nSm Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.374999 Sm\n0.749999 0.874999 0.124998 Sm\n0.374999 0.250000 0.625000 Sm\n0.625000 0.374999 0.250000 Sm\n0.124998 0.749999 0.874999 Sm\n0.874999 0.124998 0.749999 Sm\n0.822208 0.499999 -0.000001 Sb\n-0.000001 0.822208 0.499999 Sb\n0.499999 -0.000001 0.822208 Sb\n0.677790 0.677790 0.677790 Sb\n-0.000000 0.322210 0.499999 Sb\n0.322210 0.499999 -0.000000 Sb\n0.499999 -0.000000 0.322210 Sb\n0.177790 0.177790 0.177790 Sb\n0.249998 0.124998 0.874999 Au\n0.750000 0.374999 0.624999 Au\n0.874999 0.249998 0.124998 Au\n0.124998 0.874999 0.249998 Au\n0.624999 0.750000 0.374999 Au\n0.374999 0.624999 0.750000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Sm",
"density": 10.071852075508342,
"density_atomic": 0.03966862601959266,
"volume": 504.1767766325417,
"volume_molar": 15.181117584021223,
"formula_full": "Sm6 Sb8 Au6",
"formula_reduced": "Sm3Sb4Au3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.3876713735000004,
"spacegroup": 220
},
{
"id": "jvasp-44859",
"created_at": "2022-09-04T14:38:00.321415Z",
"updated_at": "2022-09-04T14:38:00.321446Z",
"structure_string": "Li8 Cr2 O10\n1.0\n4.322170 2.873436 0.000510\n-4.322170 2.873436 -0.000510\n-1.117570 0.000000 7.674763\nLi Cr O\n8 2 10\ndirect\n0.363194 0.966216 0.648184 Li\n0.033786 0.636807 0.148185 Li\n0.221660 0.437739 0.555103 Li\n0.562262 0.778341 0.055103 Li\n0.437739 0.221660 0.944896 Li\n0.778341 0.562262 0.444896 Li\n0.966216 0.363194 0.851815 Li\n0.636807 0.033786 0.351815 Li\n0.170161 0.170161 0.250000 Cr\n0.829840 0.829841 0.750000 Cr\n0.646882 0.014800 0.841156 O\n0.014800 0.646882 0.658843 O\n0.353120 0.985202 0.158844 O\n0.589232 0.768208 0.569814 O\n0.231794 0.410770 0.069815 O\n0.132376 0.132376 0.750000 O\n0.867626 0.867626 0.250000 O\n0.768208 0.589232 0.930185 O\n0.410770 0.231794 0.430185 O\n0.985202 0.353120 0.341156 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.783129774356492,
"density_atomic": 0.10491176454951844,
"volume": 190.63638940664262,
"volume_molar": 5.740195854924874,
"formula_full": "Li8 Cr2 O10",
"formula_reduced": "Li4CrO5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 2.13556249,
"spacegroup": 15
},
{
"id": "jvasp-46362",
"created_at": "2022-09-04T14:38:02.712189Z",
"updated_at": "2022-09-04T14:38:02.712218Z",
"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O",
"density": 4.868783283484784,
"density_atomic": 0.11170871568520643,
"volume": 179.03705970767504,
"volume_molar": 5.390931874080718,
"formula_full": "Mg4 Co4 O12",
"formula_reduced": "MgCoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6989480899999998,
"spacegroup": 62
},
{
"id": "jvasp-30434",
"created_at": "2022-09-04T14:38:00.618040Z",
"updated_at": "2022-09-04T14:38:00.618058Z",
"structure_string": "V4 F16\n1.0\n7.243251 0.000000 -0.071491\n0.000000 4.839554 0.000000\n-1.606118 0.000000 7.130329\nV F\n4 16\ndirect\n0.205285 0.255832 0.814180 V\n0.205285 0.244168 0.314180 V\n0.794714 0.755832 0.685820 V\n0.794714 0.744167 0.185820 V\n0.812121 0.621995 0.441467 F\n0.695689 0.435552 0.083632 F\n0.812120 0.878004 0.941467 F\n0.695688 0.064448 0.583632 F\n0.589677 0.929964 0.188238 F\n0.589677 0.570035 0.688238 F\n0.410323 0.429964 0.311763 F\n0.304311 0.935551 0.416368 F\n0.955782 0.443758 0.788531 F\n0.187879 0.121996 0.058533 F\n0.304311 0.564447 0.916368 F\n0.187879 0.378004 0.558533 F\n0.044217 0.556242 0.211470 F\n0.044217 0.943757 0.711470 F\n0.410323 0.070035 0.811763 F\n0.955782 0.056242 0.288531 F\n",
"nsites": 20,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.3807186717645084,
"density_atomic": 0.08019516140675696,
"volume": 249.39160479468617,
"volume_molar": 7.509356742179456,
"formula_full": "V4 F16",
"formula_reduced": "VF4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.224721066,
"spacegroup": 14
}
]
}