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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3554",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3552",
"results": [
{
"id": "jvasp-119583",
"created_at": "2022-09-04T14:38:52.233346Z",
"updated_at": "2022-09-04T14:38:52.233367Z",
"structure_string": "Nb9 Ir1 S20\n1.0\n6.731963 0.012384 1.011833\n3.137644 8.328547 1.756494\n0.020927 0.411473 10.713028\nNb Ir S\n9 1 20\ndirect\n0.500000 -0.000000 -0.000000 Nb\n0.708190 0.398049 0.394454 Nb\n0.571477 0.210516 0.220032 Nb\n0.291810 0.601951 0.605546 Nb\n0.193620 0.409523 0.412504 Nb\n0.900975 0.817926 0.819709 Nb\n0.099025 0.182074 0.180290 Nb\n0.806380 0.590476 0.587495 Nb\n0.428523 0.789484 0.779967 Nb\n0.000000 0.000000 0.000000 Ir\n0.148796 0.888940 0.629557 S\n0.045904 0.523173 0.769887 S\n0.335601 0.113129 0.371572 S\n0.546151 0.688010 0.426674 S\n0.453849 0.311989 0.573326 S\n0.664398 0.886870 0.628427 S\n0.954096 0.476827 0.230112 S\n0.750631 0.923916 0.167509 S\n0.851204 0.111060 0.370443 S\n0.250142 0.900305 0.167961 S\n0.164187 0.720320 0.971204 S\n0.045884 0.695619 0.426102 S\n0.441583 0.494909 0.230847 S\n0.954115 0.304380 0.573897 S\n0.749858 0.099694 0.832038 S\n0.656014 0.711404 0.968446 S\n0.835813 0.279680 0.028795 S\n0.249369 0.076084 0.832490 S\n0.343986 0.288596 0.031553 S\n0.558417 0.505091 0.769153 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"S"
],
"chemical_system": "Ir-Nb-S",
"density": 4.6480383589180825,
"density_atomic": 0.05029329238623162,
"volume": 596.5010158732987,
"volume_molar": 11.974043603573328,
"formula_full": "Nb9 Ir1 S20",
"formula_reduced": "Nb9IrS20",
"formula_anonymous": "AB9C20",
"energy_above_hull": 3.909464523333334,
"spacegroup": 2
},
{
"id": "jvasp-93409",
"created_at": "2022-09-04T14:36:19.062653Z",
"updated_at": "2022-09-04T14:36:19.062673Z",
"structure_string": "Nb1 Ir1 S4\n1.0\n3.503042 0.000000 -0.000000\n-3.503042 5.637977 0.048059\n-1.751521 3.033787 5.878261\nNb Ir S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000001 0.500000 0.000000 Ir\n0.657428 0.782051 0.750753 S\n0.323869 0.694504 0.258728 S\n0.342574 0.217950 0.249247 S\n0.676132 0.305497 0.741272 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"S"
],
"chemical_system": "Ir-Nb-S",
"density": 5.938809911388582,
"density_atomic": 0.05190970557978103,
"volume": 115.58532133800074,
"volume_molar": 11.601184581454532,
"formula_full": "Nb1 Ir1 S4",
"formula_reduced": "NbIrS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.15626175,
"spacegroup": 12
},
{
"id": "jvasp-112657",
"created_at": "2022-09-04T14:38:42.112905Z",
"updated_at": "2022-09-04T14:38:42.112921Z",
"structure_string": "Nb3 Ir1 Se8\n1.0\n5.721812 0.001032 3.918546\n1.510208 5.518914 3.918546\n0.264495 0.201880 8.754457\nNb Ir Se\n3 1 8\ndirect\n0.500000 0.499999 0.000001 Nb\n0.500000 -0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Ir\n0.032159 0.032158 0.262222 Se\n0.536431 0.536430 0.262645 Se\n0.545690 0.033065 0.260461 Se\n0.033066 0.545690 0.260461 Se\n0.454311 0.966934 0.739540 Se\n0.966935 0.454309 0.739540 Se\n0.967843 0.967841 0.737779 Se\n0.463570 0.463569 0.737356 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.847552938719102,
"density_atomic": 0.04487900313822943,
"volume": 267.3856182375406,
"volume_molar": 13.418615251884106,
"formula_full": "Nb3 Ir1 Se8",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2216971861111108,
"spacegroup": 12
},
{
"id": "jvasp-29960",
"created_at": "2022-09-04T14:38:02.758108Z",
"updated_at": "2022-09-04T14:38:02.758127Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.254180 -0.000996 3.127161\n-3.154629 6.078440 -1.506407\n-2.521576 0.069827 12.862672\nNb Ir Se\n6 2 16\ndirect\n0.018327 0.523580 0.999395 Nb\n0.256372 0.023662 0.499328 Nb\n0.029683 0.997605 0.002768 Nb\n0.498141 0.534864 0.998216 Nb\n0.789024 0.034953 0.498142 Nb\n0.715667 0.497690 0.502694 Nb\n0.252743 0.452885 0.500796 Ir\n0.449698 0.952792 0.000868 Ir\n0.865815 0.346513 0.629015 Se\n0.850251 0.840645 0.631034 Se\n0.414482 0.175395 0.871830 Se\n0.658352 0.186349 0.367354 Se\n0.639631 0.675489 0.371760 Se\n0.394399 0.662638 0.856283 Se\n0.342340 0.314341 0.645592 Se\n0.601986 0.846409 0.129087 Se\n0.162507 0.162716 0.356220 Se\n0.354752 0.804998 0.609475 Se\n0.911033 0.686255 0.867419 Se\n0.109675 0.340545 0.131099 Se\n0.150750 0.652669 0.390629 Se\n0.076719 0.814241 0.145660 Se\n0.591108 0.304913 0.109536 Se\n0.861673 0.152576 0.890702 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.821183901029243,
"density_atomic": 0.04470617992155246,
"volume": 536.8385319907374,
"volume_molar": 13.470488354333263,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.2180746861111107,
"spacegroup": 9
},
{
"id": "jvasp-119419",
"created_at": "2022-09-04T14:38:49.516989Z",
"updated_at": "2022-09-04T14:38:49.517025Z",
"structure_string": "Nb6 Ir2 Se16\n1.0\n6.547968 -0.008495 2.459639\n2.794073 5.921918 2.459639\n0.386735 0.244799 14.065245\nNb Ir Se\n6 2 16\ndirect\n0.908233 0.628327 0.748488 Nb\n0.628327 0.908233 0.248487 Nb\n0.897184 0.102816 0.750000 Nb\n0.371672 0.091766 0.751513 Nb\n0.091766 0.371672 0.251513 Nb\n0.102816 0.897184 0.250000 Nb\n0.672351 0.327649 0.250000 Ir\n0.327648 0.672351 0.750000 Ir\n0.373050 0.580697 0.139538 Se\n0.349261 0.121197 0.117902 Se\n0.124816 0.893850 0.894848 Se\n0.878803 0.650738 0.382099 Se\n0.893850 0.124817 0.394848 Se\n0.159929 0.388706 0.878310 Se\n0.875183 0.106150 0.105153 Se\n0.580697 0.373050 0.639538 Se\n0.388706 0.159930 0.378310 Se\n0.840070 0.611294 0.121691 Se\n0.650738 0.878803 0.882099 Se\n0.121196 0.349261 0.617902 Se\n0.419303 0.626950 0.360463 Se\n0.106150 0.875183 0.605153 Se\n0.611294 0.840070 0.621691 Se\n0.626950 0.419303 0.860463 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Ir",
"Se"
],
"chemical_system": "Ir-Nb-Se",
"density": 6.808561547871752,
"density_atomic": 0.04462345275871977,
"volume": 537.8337738625619,
"volume_molar": 13.495461215343152,
"formula_full": "Nb6 Ir2 Se16",
"formula_reduced": "Nb3IrSe8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.216918852777777,
"spacegroup": 15
},
{
"id": "jvasp-23551",
"created_at": "2022-09-04T14:37:35.965134Z",
"updated_at": "2022-09-04T14:37:35.965143Z",
"structure_string": "Nb4 Si4 Ir4\n1.0\n3.831028 0.000000 0.000000\n0.000000 6.488703 0.000000\n0.000000 0.000000 7.345017\nNb Si Ir\n4 4 4\ndirect\n0.750000 0.523851 0.828261 Nb\n0.250000 0.976148 0.328261 Nb\n0.750000 0.023851 0.671740 Nb\n0.250000 0.476148 0.171740 Nb\n0.250000 0.229956 0.875976 Si\n0.250000 0.729955 0.624024 Si\n0.750000 0.770044 0.124024 Si\n0.750000 0.270044 0.375976 Si\n0.250000 0.853496 0.936022 Ir\n0.250000 0.353496 0.563979 Ir\n0.750000 0.646503 0.436022 Ir\n0.750000 0.146503 0.063978 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Si",
"Ir"
],
"chemical_system": "Ir-Nb-Si",
"density": 11.394023943331709,
"density_atomic": 0.06572267302887407,
"volume": 182.58539172209288,
"volume_molar": 9.162957747251516,
"formula_full": "Nb4 Si4 Ir4",
"formula_reduced": "NbSiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.6619797,
"spacegroup": 62
},
{
"id": "jvasp-41034",
"created_at": "2022-09-04T14:37:44.397301Z",
"updated_at": "2022-09-04T14:37:44.397321Z",
"structure_string": "Ta2 Nb1 Ir1\n1.0\n0.000000 3.237086 3.237086\n3.237086 -0.000000 3.237086\n3.237086 3.237086 -0.000000\nTa Nb Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500002 0.500002 0.500002 Ta\n0.750001 0.750001 0.750001 Nb\n0.249999 0.249999 0.249999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Ir"
],
"chemical_system": "Ir-Nb-Ta",
"density": 15.837021903351372,
"density_atomic": 0.058961331594699885,
"volume": 67.84107298485038,
"volume_molar": 10.21371227060506,
"formula_full": "Ta2 Nb1 Ir1",
"formula_reduced": "Ta2NbIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.778404725,
"spacegroup": 225
},
{
"id": "jvasp-88664",
"created_at": "2022-09-04T14:36:15.319121Z",
"updated_at": "2022-09-04T14:36:15.319149Z",
"structure_string": "Nb4 Te16 Ir4\n1.0\n3.832548 0.000000 0.000000\n0.000000 12.700814 0.000000\n0.000000 0.000000 13.378086\nNb Te Ir\n4 16 4\ndirect\n0.000000 0.054592 0.004691 Nb\n0.500000 0.945407 0.504691 Nb\n0.000000 0.270424 0.491665 Nb\n0.500000 0.729575 0.991666 Nb\n0.500000 0.150511 0.607893 Te\n0.000000 0.849489 0.107893 Te\n0.500000 0.323580 0.348366 Te\n0.000000 0.676420 0.848366 Te\n0.500000 0.435641 0.895450 Te\n0.000000 0.564359 0.395449 Te\n0.500000 0.585922 0.137895 Te\n0.000000 0.414078 0.637895 Te\n0.500000 0.654296 0.596205 Te\n0.500000 0.806248 0.354532 Te\n0.000000 0.892228 0.647867 Te\n0.000000 0.193752 0.854532 Te\n0.500000 0.934263 0.891206 Te\n0.000000 0.065736 0.391206 Te\n0.000000 0.345704 0.096205 Te\n0.500000 0.107772 0.147867 Te\n0.500000 0.246659 0.992489 Ir\n0.000000 0.753340 0.492489 Ir\n0.500000 0.465415 0.499945 Ir\n0.000000 0.534585 0.999945 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"Te",
"Ir"
],
"chemical_system": "Ir-Nb-Te",
"density": 8.114259533554598,
"density_atomic": 0.03685514290563617,
"volume": 651.1981261733144,
"volume_molar": 16.34002824359975,
"formula_full": "Nb4 Te16 Ir4",
"formula_reduced": "NbTe4Ir",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4816419277777784,
"spacegroup": 31
},
{
"id": "jvasp-98736",
"created_at": "2022-09-04T14:36:00.204870Z",
"updated_at": "2022-09-04T14:36:00.204899Z",
"structure_string": "Nd20 Ir12\n1.0\n6.590318 -0.000000 0.000000\n0.000000 11.226961 -0.000000\n-0.000000 0.000000 11.226961\nNd Ir\n20 12\ndirect\n0.118055 0.042096 0.340158 Nd\n0.500000 0.750000 0.250000 Nd\n0.500000 0.250000 0.750000 Nd\n0.000000 0.250000 0.750000 Nd\n0.000000 0.750000 0.250000 Nd\n0.618055 0.159842 0.457904 Nd\n0.618055 0.042096 0.159842 Nd\n0.618055 0.457904 0.340158 Nd\n0.881945 0.542096 0.840157 Nd\n0.881945 0.659842 0.542096 Nd\n0.618055 0.340158 0.042096 Nd\n0.881945 0.957904 0.659842 Nd\n0.381945 0.659842 0.957904 Nd\n0.381945 0.840157 0.542096 Nd\n0.381945 0.957904 0.840157 Nd\n0.381945 0.542096 0.659842 Nd\n0.118055 0.457904 0.159842 Nd\n0.118055 0.340158 0.457904 Nd\n0.118055 0.159842 0.042096 Nd\n0.881945 0.840157 0.957904 Nd\n0.118939 0.750000 0.750000 Ir\n0.381061 0.250000 0.250000 Ir\n0.750000 0.096303 0.903697 Ir\n0.750000 0.596303 0.096303 Ir\n0.750000 0.903697 0.403697 Ir\n0.250000 0.096303 0.596303 Ir\n0.250000 0.903697 0.096303 Ir\n0.250000 0.403697 0.903697 Ir\n0.250000 0.596303 0.403697 Ir\n0.618939 0.750000 0.750000 Ir\n0.750000 0.403697 0.596303 Ir\n0.881061 0.250000 0.250000 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 10.377828087348187,
"density_atomic": 0.038522918276573476,
"volume": 830.6743474172312,
"volume_molar": 15.63261826833659,
"formula_full": "Nd20 Ir12",
"formula_reduced": "Nd5Ir3",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.1216626,
"spacegroup": 130
},
{
"id": "jvasp-20540",
"created_at": "2022-09-04T14:37:33.500263Z",
"updated_at": "2022-09-04T14:37:33.500287Z",
"structure_string": "Nd1 Ir3\n1.0\n4.139265 0.000000 -0.000000\n0.000000 4.139265 0.000000\n0.000000 0.000000 4.139265\nNd Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.499999 Ir\n0.000000 0.499999 0.499999 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 16.879135988035546,
"density_atomic": 0.056401453676070815,
"volume": 70.92015789119743,
"volume_molar": 10.677279338555394,
"formula_full": "Nd1 Ir3",
"formula_reduced": "NdIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8109312,
"spacegroup": 221
},
{
"id": "jvasp-19880",
"created_at": "2022-09-04T14:37:02.310435Z",
"updated_at": "2022-09-04T14:37:02.310462Z",
"structure_string": "Nd2 Ir4\n1.0\n4.714286 -0.000000 2.721794\n1.571428 4.444671 2.721794\n0.000000 -0.000000 5.443587\nNd Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875001 0.875000 0.874999 Nd\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500001 0.500000 -0.000001 Ir\n0.500001 0.500000 0.499999 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 15.39316677291296,
"density_atomic": 0.05260300283009169,
"volume": 114.0619294944068,
"volume_molar": 11.448283246208556,
"formula_full": "Nd2 Ir4",
"formula_reduced": "NdIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.964817899999999,
"spacegroup": 227
},
{
"id": "jvasp-93438",
"created_at": "2022-09-04T14:36:07.692667Z",
"updated_at": "2022-09-04T14:36:07.692697Z",
"structure_string": "Nd1 Ir5\n1.0\n5.358581 0.000000 0.000000\n-2.679291 4.640667 -0.000000\n0.000000 0.000000 4.341402\nNd Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.666667 0.333333 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.333333 0.666667 0.000000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd",
"density": 17.001203604061473,
"density_atomic": 0.055576480749204044,
"volume": 107.95933673950614,
"volume_molar": 10.835772036692426,
"formula_full": "Nd1 Ir5",
"formula_reduced": "NdIr5",
"formula_anonymous": "AB5",
"energy_above_hull": 4.529857833333334,
"spacegroup": 191
}
]
}