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=formula_reduced&page=3796",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3794",
"results": [
{
"id": "jvasp-109076",
"created_at": "2022-09-04T14:37:49.915232Z",
"updated_at": "2022-09-04T14:37:49.915247Z",
"structure_string": "Ta3 Pt1\n1.0\n4.119353 -0.000000 0.000000\n0.000000 4.119353 0.000000\n-0.000000 -0.000000 4.119353\nTa Pt\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pt"
],
"chemical_system": "Pt-Ta",
"density": 17.529755003550566,
"density_atomic": 0.05722330832122097,
"volume": 69.90158586333641,
"volume_molar": 10.523929735405948,
"formula_full": "Ta3 Pt1",
"formula_reduced": "Ta3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 5.62000975,
"spacegroup": 221
},
{
"id": "jvasp-105864",
"created_at": "2022-09-04T14:36:02.186182Z",
"updated_at": "2022-09-04T14:36:02.186200Z",
"structure_string": "Ta3 Pt1\n1.0\n3.993776 -0.000000 2.305807\n1.331259 3.765368 2.305807\n0.000000 0.000000 4.611615\nTa Pt\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750000 0.750001 Ta\n0.500001 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pt"
],
"chemical_system": "Pt-Ta",
"density": 17.669273849955385,
"density_atomic": 0.057678747085928565,
"volume": 69.34963400021303,
"volume_molar": 10.440831440094119,
"formula_full": "Ta3 Pt1",
"formula_reduced": "Ta3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 5.62361725,
"spacegroup": 225
},
{
"id": "jvasp-101691",
"created_at": "2022-09-04T14:36:34.380661Z",
"updated_at": "2022-09-04T14:36:34.380680Z",
"structure_string": "Ta3 Ru1\n1.0\n2.869051 -0.008282 0.000000\n-0.944455 2.709156 0.000000\n-0.000000 -0.000000 8.808460\nTa Ru\n3 1\ndirect\n0.499999 0.500001 0.763382 Ta\n0.000000 0.000000 0.500000 Ta\n0.499999 0.500001 0.236618 Ta\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 15.6329781693363,
"density_atomic": 0.0584823735470393,
"volume": 68.3966767659091,
"volume_molar": 10.297360375013154,
"formula_full": "Ta3 Ru1",
"formula_reduced": "Ta3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 6.123264524999999,
"spacegroup": 65
},
{
"id": "jvasp-38788",
"created_at": "2022-09-04T14:37:50.250388Z",
"updated_at": "2022-09-04T14:37:50.250407Z",
"structure_string": "Ta3 Ru1\n1.0\n0.000001 3.229280 3.229279\n3.229280 0.000000 3.229280\n3.229281 3.229282 -0.000001\nTa Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499999 0.499999 0.499998 Ta\n0.250000 0.250000 0.250000 Ta\n0.749999 0.749999 0.749998 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 15.875575713935229,
"density_atomic": 0.05938992168477404,
"volume": 67.35149477433123,
"volume_molar": 10.140004548185678,
"formula_full": "Ta3 Ru1",
"formula_reduced": "Ta3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 6.098877024999998,
"spacegroup": 225
},
{
"id": "jvasp-109145",
"created_at": "2022-09-04T14:38:19.535699Z",
"updated_at": "2022-09-04T14:38:19.535738Z",
"structure_string": "Ta6 Ru4\n1.0\n3.221407 -0.000000 0.000000\n0.000000 3.221407 0.000000\n0.000000 -0.000000 15.802324\nTa Ru\n6 4\ndirect\n0.000000 0.000000 0.895324 Ta\n0.000000 0.000000 0.104676 Ta\n0.000000 0.000000 0.304728 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.695272 Ta\n0.500000 0.500000 -0.000000 Ta\n0.500000 0.500000 0.208827 Ru\n0.500000 0.500000 0.402523 Ru\n0.500000 0.500000 0.597477 Ru\n0.500000 0.500000 0.791173 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 15.087374502791683,
"density_atomic": 0.06098005923059277,
"volume": 163.98803356660486,
"volume_molar": 9.875590210936995,
"formula_full": "Ta6 Ru4",
"formula_reduced": "Ta3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 6.152021719999999,
"spacegroup": 123
},
{
"id": "jvasp-14769",
"created_at": "2022-09-04T14:38:12.418127Z",
"updated_at": "2022-09-04T14:38:12.418158Z",
"structure_string": "Ta6 Sb2\n1.0\n5.299668 -0.000000 0.000000\n0.000000 5.299668 0.000000\n-0.000000 -0.000000 5.299668\nTa Sb\n6 2\ndirect\n0.250000 0.000000 0.500000 Ta\n0.750000 0.000000 0.500000 Ta\n0.000000 0.500000 0.250000 Ta\n0.000000 0.500000 0.750000 Ta\n0.500000 0.750000 0.000000 Ta\n0.500000 0.250000 0.000000 Ta\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Sb"
],
"chemical_system": "Sb-Ta",
"density": 14.828452045345983,
"density_atomic": 0.05374573362303177,
"volume": 148.84902411252497,
"volume_molar": 11.204872189928242,
"formula_full": "Ta6 Sb2",
"formula_reduced": "Ta3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 5.421963425,
"spacegroup": 223
},
{
"id": "jvasp-5824",
"created_at": "2022-09-04T14:35:43.087009Z",
"updated_at": "2022-09-04T14:35:43.087035Z",
"structure_string": "Ta3 S1 Br7\n1.0\n6.211481 0.000000 3.482476\n3.079153 6.170719 1.788660\n0.002854 0.000457 7.275667\nTa S Br\n3 1 7\ndirect\n0.647999 0.318188 0.385813 Ta\n0.647196 0.720983 0.387303 Ta\n0.244517 0.720983 0.387303 Ta\n0.649601 0.590779 0.110018 S\n0.736884 0.918606 0.607624 Br\n0.126894 0.584317 0.161895 Br\n0.210425 0.920969 0.658181 Br\n0.620313 0.090511 0.161153 Br\n0.128025 0.090511 0.161153 Br\n0.211908 0.413979 0.655482 Br\n0.718630 0.413979 0.655482 Br\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"S",
"Br"
],
"chemical_system": "Br-S-Ta",
"density": 6.7553028414865635,
"density_atomic": 0.03945342751589345,
"volume": 278.8097433504035,
"volume_molar": 15.26392290650549,
"formula_full": "Ta3 S1 Br7",
"formula_reduced": "Ta3SBr7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.270884212272727,
"spacegroup": 8
},
{
"id": "jvasp-5629",
"created_at": "2022-09-04T14:37:07.416679Z",
"updated_at": "2022-09-04T14:37:07.416705Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 -0.000000\n3.807006 6.593927 0.000000\n-0.000000 -0.000000 13.744326\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979720154215,
"density_atomic": 0.03188170518232541,
"volume": 690.0509202436377,
"volume_molar": 18.889017151248726,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-58951",
"created_at": "2022-09-04T14:38:35.054278Z",
"updated_at": "2022-09-04T14:38:35.054303Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 0.000000\n3.807006 6.593927 -0.000000\n-0.000000 0.000000 13.744327\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979191355699,
"density_atomic": 0.0318817028626989,
"volume": 690.050970449877,
"volume_molar": 18.889018525562545,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-13945",
"created_at": "2022-09-04T14:37:03.828343Z",
"updated_at": "2022-09-04T14:37:03.828358Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807010 -6.593936 -0.000000\n3.807010 6.593936 -0.000000\n-0.000000 0.000000 13.744315\nTa Se I\n6 2 14\ndirect\n0.129530 0.870469 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870469 0.740937 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740937 0.870469 0.750260 Ta\n0.870469 0.129530 0.250260 Ta\n0.000000 0.000000 0.888515 Se\n0.000000 0.000000 0.388515 Se\n0.830925 0.661851 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661851 0.830925 0.114310 I\n0.830926 0.169074 0.614310 I\n0.666667 0.333333 0.144112 I\n0.333333 0.666667 0.644112 I\n0.994687 0.497343 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497343 0.502656 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497343 0.994687 0.363389 I\n0.502656 0.497343 0.863389 I\n0.169074 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267967980525745,
"density_atomic": 0.03188165368529483,
"volume": 690.0520348524873,
"volume_molar": 18.88904766184593,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-29307",
"created_at": "2022-09-04T14:37:56.695564Z",
"updated_at": "2022-09-04T14:37:56.695590Z",
"structure_string": "Ta12 Si4 Te24\n1.0\n6.427501 0.000000 0.000000\n0.000000 11.585725 0.000000\n0.000000 0.000000 14.315443\nTa Si Te\n12 4 24\ndirect\n0.668327 0.334730 0.750000 Ta\n0.168328 0.165271 0.750000 Ta\n0.831672 0.834730 0.250000 Ta\n0.331672 0.665271 0.250000 Ta\n0.968303 0.687412 0.750000 Ta\n0.468303 0.812589 0.750000 Ta\n0.531697 0.187412 0.250000 Ta\n0.031697 0.312588 0.250000 Ta\n0.695989 0.031439 0.750000 Ta\n0.195990 0.468561 0.750000 Ta\n0.804010 0.531440 0.250000 Ta\n0.304010 0.968561 0.250000 Ta\n0.425055 0.424799 0.250000 Si\n0.925055 0.075202 0.250000 Si\n0.074945 0.924799 0.750000 Si\n0.574944 0.575202 0.750000 Si\n0.650804 0.681187 0.383387 Te\n0.150804 0.818814 0.116613 Te\n0.150804 0.818814 0.383387 Te\n0.650804 0.681187 0.116613 Te\n0.349196 0.318814 0.616613 Te\n0.849196 0.181186 0.883387 Te\n0.854441 0.496759 0.621572 Te\n0.354441 0.003241 0.878427 Te\n0.645559 0.996759 0.378427 Te\n0.145559 0.503241 0.121572 Te\n0.145559 0.503241 0.378427 Te\n0.204212 0.157668 0.382368 Te\n0.354441 0.003241 0.621572 Te\n0.854441 0.496759 0.878427 Te\n0.795788 0.842333 0.617632 Te\n0.295788 0.657668 0.882368 Te\n0.704212 0.342332 0.382368 Te\n0.204212 0.157668 0.117632 Te\n0.349196 0.318814 0.883387 Te\n0.704212 0.342332 0.117632 Te\n0.295788 0.657668 0.617632 Te\n0.795788 0.842333 0.882368 Te\n0.645559 0.996759 0.121572 Te\n0.849196 0.181186 0.616613 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Te"
],
"chemical_system": "Si-Ta-Te",
"density": 8.327552129819038,
"density_atomic": 0.037522332756125834,
"volume": 1066.031801913213,
"volume_molar": 16.049483914394514,
"formula_full": "Ta12 Si4 Te24",
"formula_reduced": "Ta3SiTe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.41012728,
"spacegroup": 62
},
{
"id": "jvasp-18790",
"created_at": "2022-09-04T14:36:10.311471Z",
"updated_at": "2022-09-04T14:36:10.311502Z",
"structure_string": "Ta6 Sn2\n1.0\n5.314984 -0.000000 -0.000000\n0.000000 5.314984 -0.000000\n0.000000 0.000000 5.314984\nTa Sn\n6 2\ndirect\n0.250000 0.000000 0.500000 Ta\n0.749999 0.000000 0.500000 Ta\n0.000000 0.500000 0.250000 Ta\n0.000000 0.500000 0.749999 Ta\n0.500000 0.749999 0.000000 Ta\n0.500000 0.250000 0.000000 Ta\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Sn"
],
"chemical_system": "Sn-Ta",
"density": 14.633165081605721,
"density_atomic": 0.0532824397527009,
"volume": 150.1432749162819,
"volume_molar": 11.302299196415335,
"formula_full": "Ta6 Sn2",
"formula_reduced": "Ta3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 5.133079824999999,
"spacegroup": 223
}
]
}