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=structure_string&page=3823",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3821",
"results": [
{
"id": "jvasp-32399",
"created_at": "2022-09-04T14:37:00.772376Z",
"updated_at": "2022-09-04T14:37:00.772404Z",
"structure_string": "Ta3 N3 O3\n1.0\n6.680689 0.000000 0.000000\n-3.340344 5.785149 0.000000\n0.000000 0.000000 3.923592\nTa N O\n3 3 3\ndirect\n0.333330 0.666659 0.000000 Ta\n0.999998 0.999995 0.000000 Ta\n0.666671 0.333342 0.000000 Ta\n0.000000 0.500002 0.000000 N\n0.500002 0.500002 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.666691 0.333381 0.500000 O\n0.333310 0.666620 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 6.930082926069179,
"density_atomic": 0.05935029271362923,
"volume": 151.64204907001638,
"volume_molar": 10.146775162605174,
"formula_full": "Ta3 N3 O3",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9130453166666657,
"spacegroup": 191
},
{
"id": "jvasp-30206",
"created_at": "2022-09-04T14:37:06.802294Z",
"updated_at": "2022-09-04T14:37:06.802326Z",
"structure_string": "Ta3 O5 F5\n1.0\n-1.966426 2.003588 11.893206\n1.966426 -2.003588 11.893206\n1.966426 2.003588 -11.893206\nTa O F\n3 5 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.162895 0.162895 0.000000 Ta\n0.837105 0.837105 0.000000 Ta\n0.838188 0.338188 0.500000 O\n0.500000 0.000000 0.500000 O\n0.081601 0.081601 -0.000000 O\n0.918400 0.918400 0.000000 O\n0.161812 0.661813 0.500001 O\n0.663703 0.163702 0.500000 F\n0.243445 0.243445 0.000000 F\n0.756554 0.756554 -0.000000 F\n0.000000 0.500001 0.500001 F\n0.336298 0.836299 0.500001 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.359564065528639,
"density_atomic": 0.06935829203138436,
"volume": 187.4325278096172,
"volume_molar": 8.68265434978561,
"formula_full": "Ta3 O5 F5",
"formula_reduced": "Ta3(OF)5",
"formula_anonymous": "A3B5C5",
"energy_above_hull": 2.7365297317307693,
"spacegroup": 71
},
{
"id": "jvasp-50802",
"created_at": "2022-09-04T14:37:08.270596Z",
"updated_at": "2022-09-04T14:37:08.270623Z",
"structure_string": "Ta3 O7 F1\n1.0\n3.244634 5.395830 0.000000\n-3.244634 5.395830 0.000000\n0.000000 0.000000 3.875997\nTa O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.302188 0.302188 0.000000 Ta\n0.697812 0.697812 0.000000 Ta\n0.045295 0.662253 0.000000 O\n0.337747 0.954705 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314191 0.314191 0.500000 O\n0.685809 0.685809 0.500000 O\n0.954705 0.337747 0.000000 O\n0.662253 0.045295 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 8.244552616047724,
"density_atomic": 0.08105042268371952,
"volume": 135.71798438269656,
"volume_molar": 7.43011641469164,
"formula_full": "Ta3 O7 F1",
"formula_reduced": "Ta3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.774667489318181,
"spacegroup": 65
},
{
"id": "jvasp-109075",
"created_at": "2022-09-04T14:37:49.827154Z",
"updated_at": "2022-09-04T14:37:49.827178Z",
"structure_string": "Ta3 Os1\n1.0\n3.963227 -0.000000 2.288170\n1.321076 3.736567 2.288170\n-0.000000 -0.000000 4.576341\nTa Os\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750001 0.749999 Ta\n0.500001 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Os"
],
"chemical_system": "Os-Ta",
"density": 17.962078954337045,
"density_atomic": 0.059022811319546335,
"volume": 67.77040792489898,
"volume_molar": 10.203073397159027,
"formula_full": "Ta3 Os1",
"formula_reduced": "Ta3Os",
"formula_anonymous": "AB3",
"energy_above_hull": 6.446093149999999,
"spacegroup": 225
},
{
"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-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-90239",
"created_at": "2022-09-04T14:35:58.846472Z",
"updated_at": "2022-09-04T14:35:58.846496Z",
"structure_string": "Ta3 Re3 Si3\n1.0\n0.000000 0.000000 -3.293309\n-3.453731 -5.982038 0.000000\n-3.453708 5.982025 0.000000\nTa Re Si\n3 3 3\ndirect\n0.500000 0.600001 -0.000000 Ta\n0.500000 0.399992 0.400018 Ta\n0.500000 0.999974 0.599981 Ta\n0.000000 0.261598 -0.000000 Re\n0.000000 0.738390 0.738406 Re\n0.000000 0.999984 0.261593 Re\n0.000000 0.333316 0.666670 Si\n0.000000 0.666644 0.333330 Si\n0.500000 0.000005 -0.000000 Si\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Re",
"Si"
],
"chemical_system": "Re-Si-Ta",
"density": 14.468830381844338,
"density_atomic": 0.06613696699371348,
"volume": 136.08123276737922,
"volume_molar": 9.105559316883134,
"formula_full": "Ta3 Re3 Si3",
"formula_reduced": "TaReSi",
"formula_anonymous": "ABC",
"energy_above_hull": 4.835825266666667,
"spacegroup": 189
},
{
"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-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-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-120497",
"created_at": "2022-09-04T14:38:53.079719Z",
"updated_at": "2022-09-04T14:38:53.079743Z",
"structure_string": "Ta3 Si12 Mo3\n1.0\n13.151320 -0.000000 0.000000\n-0.000000 4.111854 2.345614\n0.000000 -0.001960 4.753121\nTa Si Mo\n3 12 3\ndirect\n0.249262 -0.000000 0.500000 Ta\n0.583844 0.500000 0.500000 Ta\n0.083428 0.500000 0.500000 Ta\n0.081948 0.164316 0.156181 Si\n0.583457 0.161796 0.164730 Si\n0.251142 0.678917 0.158018 Si\n0.750972 0.676804 0.158882 Si\n0.416616 0.162159 0.679597 Si\n0.915832 0.157990 0.675145 Si\n0.081948 0.835683 0.843819 Si\n0.583457 0.838203 0.835270 Si\n0.251142 0.321082 0.841982 Si\n0.750972 0.323195 0.841118 Si\n0.416616 0.837840 0.320402 Si\n0.915832 0.842009 0.324855 Si\n0.916286 0.500000 -0.000000 Mo\n0.416416 0.500000 -0.000000 Mo\n0.750826 -0.000000 0.500000 Mo\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ta",
"density": 7.542033818899117,
"density_atomic": 0.0700139300042228,
"volume": 257.0916958798678,
"volume_molar": 8.60134656008709,
"formula_full": "Ta3 Si12 Mo3",
"formula_reduced": "TaSi4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.612506583333334,
"spacegroup": 3
},
{
"id": "jvasp-109144",
"created_at": "2022-09-04T14:38:19.350318Z",
"updated_at": "2022-09-04T14:38:19.350347Z",
"structure_string": "Ta3 Si3 Ge3\n1.0\n4.924330 0.000000 0.000000\n-2.462164 4.264596 0.000000\n0.000000 0.000000 6.707800\nTa Si Ge\n3 3 3\ndirect\n0.338287 0.169144 0.500000 Ta\n0.830857 0.169144 0.166667 Ta\n0.830857 0.661714 0.833333 Ta\n0.009813 0.504906 0.500000 Si\n0.495095 0.504906 0.166667 Si\n0.495096 0.990188 0.833333 Si\n0.658594 0.829298 0.500000 Ge\n0.170704 0.829298 0.166667 Ge\n0.170704 0.341407 0.833333 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ge"
],
"chemical_system": "Ge-Si-Ta",
"density": 9.961185044340102,
"density_atomic": 0.06389065785430634,
"volume": 140.86566490711732,
"volume_molar": 9.425698470240588,
"formula_full": "Ta3 Si3 Ge3",
"formula_reduced": "TaSiGe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0703912499999992,
"spacegroup": 153
}
]
}