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=-volume&page=307",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=305",
"results": [
{
"id": "jvasp-10724",
"created_at": "2022-09-04T14:38:17.026068Z",
"updated_at": "2022-09-04T14:38:17.026092Z",
"structure_string": "K2 Nd2 Te8\n1.0\n6.948469 0.000000 0.000000\n0.000000 6.948469 0.000000\n0.000000 0.000000 8.731723\nK Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.355531 0.855531 0.280350 Te\n0.144469 0.355531 0.280350 Te\n0.855531 0.644469 0.280350 Te\n0.355531 0.144469 0.719650 Te\n0.644469 0.855531 0.719650 Te\n0.644469 0.144469 0.280350 Te\n0.855531 0.355531 0.719650 Te\n0.144469 0.644469 0.719650 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Nd",
"Te"
],
"chemical_system": "K-Nd-Te",
"density": 5.465096292049932,
"density_atomic": 0.028464466442891353,
"volume": 421.5782517503275,
"volume_molar": 21.156696444959906,
"formula_full": "K2 Nd2 Te8",
"formula_reduced": "KNdTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6393450944444445,
"spacegroup": 125
},
{
"id": "jvasp-101378",
"created_at": "2022-09-04T14:36:42.491687Z",
"updated_at": "2022-09-04T14:36:42.491728Z",
"structure_string": "K2 Ag1 Sb1 I6\n1.0\n7.288526 -0.000000 4.208032\n2.429509 6.871688 4.208032\n0.000000 0.000000 8.416065\nK Ag Sb I\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 Ag\n0.000000 0.000000 0.000000 Sb\n0.747203 0.252798 0.252797 I\n0.252798 0.252798 0.747202 I\n0.252798 0.747202 0.747202 I\n0.252798 0.747202 0.252797 I\n0.747203 0.252798 0.747202 I\n0.747203 0.747202 0.252797 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"I"
],
"chemical_system": "Ag-I-K-Sb",
"density": 4.212275744752243,
"density_atomic": 0.023723992546860116,
"volume": 421.5142109932717,
"volume_molar": 25.38417910941822,
"formula_full": "K2 Ag1 Sb1 I6",
"formula_reduced": "K2AgSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20897",
"created_at": "2022-09-04T14:37:42.742876Z",
"updated_at": "2022-09-04T14:37:42.742910Z",
"structure_string": "Nd1 Sb12 Os4\n1.0\n7.712983 -0.000000 -2.726951\n-3.856492 6.679640 -2.726951\n0.000000 0.000000 8.180855\nNd Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.505179 0.661488 0.843690 Sb\n0.843690 0.505179 0.661487 Sb\n0.661487 0.156309 0.817796 Sb\n0.843690 0.182203 0.338512 Sb\n0.156309 0.817797 0.661487 Sb\n0.661487 0.843691 0.505179 Sb\n0.494821 0.338512 0.156309 Sb\n0.156309 0.494821 0.338512 Sb\n0.338512 0.156309 0.494820 Sb\n0.182203 0.338512 0.843690 Sb\n0.817797 0.661488 0.156309 Sb\n0.338513 0.843691 0.182203 Sb\n0.500000 0.500000 0.500000 Os\n-0.000000 -0.000000 0.500000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"Os"
],
"chemical_system": "Nd-Os-Sb",
"density": 9.322694900998163,
"density_atomic": 0.040334325181347656,
"volume": 421.4772386439116,
"volume_molar": 14.93056034264557,
"formula_full": "Nd1 Sb12 Os4",
"formula_reduced": "Nd(Sb3Os)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.2964573352941176,
"spacegroup": 204
},
{
"id": "jvasp-107804",
"created_at": "2022-09-04T14:36:33.976197Z",
"updated_at": "2022-09-04T14:36:33.976210Z",
"structure_string": "K2 Rb1 Sb1 Br6\n1.0\n7.288174 -0.000000 4.207829\n2.429391 6.871356 4.207829\n-0.000000 -0.000000 8.415658\nK Rb Sb Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.764919 0.235081 0.235081 Br\n0.235081 0.235081 0.764919 Br\n0.235080 0.764920 0.764919 Br\n0.235080 0.764920 0.235081 Br\n0.764919 0.235081 0.764920 Br\n0.764919 0.764920 0.235081 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-K-Rb-Sb",
"density": 3.0135277827522513,
"density_atomic": 0.023727432126649253,
"volume": 421.45310738318744,
"volume_molar": 25.3804993640095,
"formula_full": "K2 Rb1 Sb1 Br6",
"formula_reduced": "K2RbSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114090",
"created_at": "2022-09-04T14:38:49.759354Z",
"updated_at": "2022-09-04T14:38:49.759382Z",
"structure_string": "Ba1 Te1\n1.0\n8.110718 0.000000 0.000000\n0.000000 8.110718 -0.000000\n0.000000 -0.000000 6.406293\nBa Te\n1 1\ndirect\n0.000000 0.000000 0.750002 Ba\n0.000000 0.000000 0.249998 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Te"
],
"chemical_system": "Ba-Te",
"density": 1.0438784157061731,
"density_atomic": 0.004745747136290985,
"volume": 421.4299545599241,
"volume_molar": 126.89552534201334,
"formula_full": "Ba1 Te1",
"formula_reduced": "BaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.7838050000000001,
"spacegroup": 123
},
{
"id": "jvasp-14038",
"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 8.575330568367203,
"density_atomic": 0.03796609354663238,
"volume": 421.4286618755701,
"volume_molar": 15.861892013207056,
"formula_full": "Hg8 I4 O4",
"formula_reduced": "Hg2IO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-21706",
"created_at": "2022-09-04T14:38:18.868338Z",
"updated_at": "2022-09-04T14:38:18.868367Z",
"structure_string": "K2 Ca2 P6 O18\n1.0\n3.411008 -5.908038 0.000000\n3.411008 5.908038 -0.000000\n0.000000 -0.000000 10.455975\nK Ca P O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 K\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Ca\n0.333333 0.666667 0.000000 Ca\n0.730072 0.964335 0.750000 P\n0.035666 0.765737 0.750000 P\n0.234263 0.269929 0.750000 P\n0.234263 0.964335 0.250000 P\n0.730071 0.765737 0.250000 P\n0.035666 0.269929 0.250000 P\n0.048562 0.660441 0.627000 O\n0.803388 0.030067 0.250000 O\n0.969933 0.773321 0.250000 O\n0.226679 0.196613 0.250000 O\n0.226679 0.030067 0.750000 O\n0.969933 0.196613 0.750000 O\n0.803388 0.773321 0.750000 O\n0.048562 0.660441 0.873000 O\n0.339560 0.951438 0.373000 O\n0.048562 0.388122 0.127000 O\n0.339560 0.951438 0.127000 O\n0.611879 0.660441 0.127000 O\n0.611879 0.951438 0.873000 O\n0.611879 0.660441 0.373000 O\n0.611879 0.951438 0.627000 O\n0.048562 0.388122 0.373000 O\n0.339560 0.388122 0.873000 O\n0.339560 0.388122 0.627000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Ca",
"P",
"O"
],
"chemical_system": "Ca-K-O-P",
"density": 2.490991830626956,
"density_atomic": 0.06644120211728846,
"volume": 421.4252468004971,
"volume_molar": 9.063864843036905,
"formula_full": "K2 Ca2 P6 O18",
"formula_reduced": "KCa(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.40151903,
"spacegroup": 188
},
{
"id": "jvasp-102006",
"created_at": "2022-09-04T14:37:00.632289Z",
"updated_at": "2022-09-04T14:37:00.632314Z",
"structure_string": "H20 C22 O6\n1.0\n7.108814 0.111428 0.029809\n0.324282 7.339607 2.523527\n-0.019553 0.201025 8.151651\nH C O\n20 22 6\ndirect\n0.919294 0.753965 0.827258 H\n0.790371 0.254884 0.728190 H\n0.209629 0.745117 0.271810 H\n0.864906 0.399670 0.839613 H\n0.135093 0.600331 0.160387 H\n0.199004 0.505017 0.386055 H\n0.893328 -0.002479 0.320070 H\n0.106672 0.002480 0.679930 H\n0.849518 0.841430 0.206074 H\n0.150482 0.158572 0.793926 H\n0.800995 0.494984 0.613945 H\n0.125546 0.240982 0.559204 H\n0.498668 0.655569 0.557117 H\n0.501331 0.344432 0.442883 H\n0.751474 0.130531 0.041312 H\n0.248525 0.869470 0.958687 H\n0.278334 0.985227 0.382990 H\n0.721665 0.014774 0.617010 H\n0.080706 0.246036 0.172742 H\n0.874454 0.759020 0.440796 H\n0.566606 0.420199 0.786536 C\n0.550361 0.440964 0.320829 C\n0.449638 0.559038 0.679171 C\n0.742477 0.409263 0.279194 C\n0.766427 0.391671 0.739093 C\n0.177273 0.126348 0.674456 C\n0.822726 0.873653 0.325544 C\n0.233572 0.608330 0.260907 C\n0.433393 0.579802 0.213464 C\n0.257522 0.590738 0.720806 C\n0.494615 0.299080 0.949245 C\n0.225669 0.215948 0.142914 C\n0.605141 0.154124 0.070519 C\n0.394859 0.845877 0.929481 C\n0.526373 0.042745 0.224462 C\n0.473627 0.957256 0.775538 C\n0.335839 0.073346 0.260430 C\n0.664161 0.926655 0.739570 C\n0.774330 0.784054 0.857085 C\n0.305810 0.328182 0.989082 C\n0.694189 0.671820 0.010918 C\n0.505384 0.700921 0.050755 C\n0.855867 0.286621 0.368786 O\n0.808648 0.529016 0.121600 O\n0.191351 0.470985 0.878400 O\n0.376836 0.101125 0.651227 O\n0.623163 0.898877 0.348772 O\n0.144133 0.713381 0.631213 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4988703890345891,
"density_atomic": 0.11390071321697127,
"volume": 421.4196614253331,
"volume_molar": 5.287184416947705,
"formula_full": "H20 C22 O6",
"formula_reduced": "H10C11O3",
"formula_anonymous": "A3B10C11",
"energy_above_hull": 5.268389604166667,
"spacegroup": 2
},
{
"id": "jvasp-98193",
"created_at": "2022-09-04T14:36:02.941113Z",
"updated_at": "2022-09-04T14:36:02.941143Z",
"structure_string": "Er4 B16 Rh16\n1.0\n6.870672 0.000000 -3.092204\n-1.391673 6.728252 -3.092204\n-0.018826 -0.023118 9.137359\nEr B Rh\n4 16 16\ndirect\n0.125000 0.375000 0.250000 Er\n0.875000 0.625000 0.750000 Er\n0.625000 0.875000 0.250001 Er\n0.374999 0.125000 0.750000 Er\n0.930547 0.872029 0.585269 B\n0.627970 0.569452 0.914732 B\n0.786760 0.069453 0.914732 B\n0.345279 0.786761 0.414732 B\n0.069452 0.127971 0.414732 B\n0.372029 0.430547 0.085269 B\n0.872029 0.654721 0.085269 B\n0.154721 0.372029 0.585268 B\n0.430547 0.713239 0.585269 B\n0.127970 0.345279 0.914732 B\n0.213239 0.930547 0.085269 B\n0.654721 0.213239 0.585269 B\n0.569452 0.286761 0.414732 B\n0.286761 0.845279 0.914732 B\n0.845279 0.627970 0.414732 B\n0.713239 0.154721 0.085269 B\n0.964965 0.176867 0.622660 Rh\n0.323133 0.535034 0.877340 Rh\n0.054207 0.035035 0.877340 Rh\n0.342305 0.054207 0.377340 Rh\n0.035035 0.823133 0.377340 Rh\n0.676867 0.464965 0.122660 Rh\n0.464965 0.445793 0.622660 Rh\n0.157694 0.676867 0.622660 Rh\n0.823132 0.342305 0.877340 Rh\n0.945793 0.964965 0.122661 Rh\n0.657694 0.945792 0.622660 Rh\n0.176867 0.657694 0.122660 Rh\n0.535035 0.554207 0.377341 Rh\n0.554207 0.842305 0.877341 Rh\n0.445793 0.157694 0.122660 Rh\n0.842305 0.323133 0.377341 Rh\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Er",
"B",
"Rh"
],
"chemical_system": "B-Er-Rh",
"density": 9.805635519046612,
"density_atomic": 0.08542628189129996,
"volume": 421.4159764767467,
"volume_molar": 7.049517580155049,
"formula_full": "Er4 B16 Rh16",
"formula_reduced": "Er(BRh)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 3.992339148148148,
"spacegroup": 142
},
{
"id": "jvasp-111827",
"created_at": "2022-09-04T14:38:41.002778Z",
"updated_at": "2022-09-04T14:38:41.002804Z",
"structure_string": "Bi3 Sb3 Te6\n1.0\n4.365031 -0.000000 -0.000000\n-2.182514 3.780227 0.000000\n-0.000000 0.000000 25.532184\nBi Sb Te\n3 3 6\ndirect\n0.333334 0.666668 0.873810 Bi\n0.333334 0.666668 0.125535 Bi\n0.666667 0.333333 0.467975 Bi\n0.000000 -0.000000 0.533063 Sb\n0.333334 0.666668 0.710582 Sb\n0.333334 0.666668 0.288765 Sb\n0.666667 0.333333 0.209976 Te\n0.000000 -0.000000 0.790759 Te\n0.666667 0.333333 0.943457 Te\n0.000000 -0.000000 0.056225 Te\n0.666667 0.333333 0.643996 Te\n0.000000 -0.000000 0.355858 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"Te"
],
"chemical_system": "Bi-Sb-Te",
"density": 6.928362745257065,
"density_atomic": 0.02848315337375395,
"volume": 421.30166707796843,
"volume_molar": 21.1428161797182,
"formula_full": "Bi3 Sb3 Te6",
"formula_reduced": "BiSbTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0495489833333336,
"spacegroup": 156
},
{
"id": "jvasp-12363",
"created_at": "2022-09-04T14:38:34.515655Z",
"updated_at": "2022-09-04T14:38:34.515672Z",
"structure_string": "Sr4 Ca4 Pb4\n1.0\n5.191215 -0.000000 0.000000\n0.000000 8.433141 0.000000\n0.000000 0.000000 9.623409\nSr Ca Pb\n4 4 4\ndirect\n0.750001 0.979378 0.683178 Sr\n0.250000 0.020622 0.316823 Sr\n0.750001 0.479378 0.816823 Sr\n0.250000 0.520622 0.183178 Sr\n0.750001 0.850118 0.071641 Ca\n0.250000 0.149881 0.928359 Ca\n0.750001 0.350119 0.428359 Ca\n0.250000 0.649881 0.571641 Ca\n0.750001 0.736325 0.392109 Pb\n0.250000 0.263675 0.607891 Pb\n0.750001 0.236325 0.107891 Pb\n0.250000 0.763675 0.892109 Pb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Sr",
"density": 5.280004845477282,
"density_atomic": 0.02848353743880338,
"volume": 421.2959863493743,
"volume_molar": 21.142531095158088,
"formula_full": "Sr4 Ca4 Pb4",
"formula_reduced": "SrCaPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-96827",
"created_at": "2022-09-04T14:36:22.384017Z",
"updated_at": "2022-09-04T14:36:22.384044Z",
"structure_string": "Sr4 Ni2 Se4 Cl4 O12\n1.0\n5.377904 0.000000 -0.267356\n0.000000 6.447730 0.000000\n-0.076511 0.000000 12.153205\nSr Ni Se Cl O\n4 2 4 4 12\ndirect\n0.485394 0.802718 0.265248 Sr\n0.514605 0.197282 0.734752 Sr\n0.014605 0.302718 0.234752 Sr\n0.985394 0.697282 0.765248 Sr\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.507818 0.261247 0.429821 Se\n0.007818 0.238753 0.929821 Se\n0.992181 0.761247 0.070179 Se\n0.492182 0.738753 0.570179 Se\n0.952544 0.676932 0.397511 Cl\n0.047456 0.323068 0.602489 Cl\n0.452544 0.823068 0.897512 Cl\n0.547455 0.176932 0.102488 Cl\n0.243186 0.874882 0.621829 O\n0.256814 0.374882 0.878171 O\n0.279110 0.073686 0.395657 O\n0.937950 0.068006 0.825926 O\n0.743186 0.625118 0.121829 O\n0.779110 0.426314 0.895657 O\n0.562049 0.568006 0.674074 O\n0.437950 0.431994 0.325926 O\n0.062050 0.931994 0.174074 O\n0.220890 0.573686 0.104343 O\n0.756813 0.125118 0.378171 O\n0.720890 0.926314 0.604343 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Ni",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Ni-O-Se-Sr",
"density": 4.404801784102171,
"density_atomic": 0.06171611513438992,
"volume": 421.283808019732,
"volume_molar": 9.75780919924478,
"formula_full": "Sr4 Ni2 Se4 Cl4 O12",
"formula_reduced": "Sr2NiSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.5064446837179486,
"spacegroup": 14
}
]
}