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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1150",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1148",
"results": [
{
"id": "jvasp-39086",
"created_at": "2022-09-04T14:38:03.134618Z",
"updated_at": "2022-09-04T14:38:03.134639Z",
"structure_string": "Si6 W2\n1.0\n2.655545 -4.599539 -0.000000\n2.655545 4.599539 0.000000\n-0.000000 -0.000000 4.836675\nSi W\n6 2\ndirect\n0.178369 0.821629 0.749999 Si\n0.643259 0.821628 0.749999 Si\n0.178370 0.356739 0.749999 Si\n0.821629 0.178369 0.250000 Si\n0.356739 0.178370 0.250000 Si\n0.821628 0.643259 0.250000 Si\n0.333332 0.666666 0.250000 W\n0.666666 0.333332 0.749999 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"W"
],
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"density": 7.535730612893938,
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},
{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
"nsites": 4,
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"elements": [
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"Se"
],
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"volume": 70.13224953759764,
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"formula_full": "Si3 Se1",
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"spacegroup": 225
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{
"id": "jvasp-30314",
"created_at": "2022-09-04T14:38:03.817290Z",
"updated_at": "2022-09-04T14:38:03.817309Z",
"structure_string": "Si6 Sb4 O18\n1.0\n6.920375 0.000001 -0.000008\n-3.460186 5.993225 -0.000008\n-0.000008 -0.000019 9.323547\nSi Sb O\n6 4 18\ndirect\n0.206877 0.926026 0.249999 Si\n0.073977 0.280847 0.250000 Si\n0.280849 0.206873 0.750000 Si\n0.719157 0.793126 0.250000 Si\n0.926029 0.719152 0.750000 Si\n0.793130 0.073973 0.750001 Si\n0.666671 0.333334 0.018465 Sb\n0.666669 0.333332 0.481536 Sb\n0.333336 0.666665 0.981536 Sb\n0.333337 0.666668 0.518465 Sb\n0.421571 0.325764 0.604827 O\n0.674238 0.095802 0.604828 O\n0.904200 0.578431 0.895172 O\n0.904201 0.578432 0.604826 O\n0.935572 0.752523 0.249999 O\n0.752526 0.816954 0.750000 O\n0.421569 0.325765 0.895174 O\n0.578437 0.674236 0.395174 O\n0.095806 0.421568 0.104827 O\n0.247481 0.183045 0.250000 O\n0.064435 0.247476 0.750001 O\n0.095806 0.421568 0.395174 O\n0.674239 0.095803 0.895174 O\n0.325768 0.904197 0.395172 O\n0.325768 0.904196 0.104826 O\n0.183047 0.935566 0.750000 O\n0.578436 0.674234 0.104827 O\n0.816960 0.064433 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 4.051716169235759,
"density_atomic": 0.07240801129783697,
"volume": 386.6975421383578,
"volume_molar": 8.316953679654365,
"formula_full": "Si6 Sb4 O18",
"formula_reduced": "Si3Sb2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.85810425,
"spacegroup": 176
},
{
"id": "jvasp-55521",
"created_at": "2022-09-04T14:37:06.506620Z",
"updated_at": "2022-09-04T14:37:06.506639Z",
"structure_string": "Si12 Ru8\n1.0\n5.625344 0.000000 0.000000\n0.000000 5.625344 0.000000\n-0.000000 0.000000 8.986626\nSi Ru\n12 8\ndirect\n0.171220 0.828779 0.750000 Si\n0.353536 0.790509 0.089561 Si\n0.790509 0.646463 0.910439 Si\n0.646463 0.209490 0.089561 Si\n0.790509 0.353536 0.410439 Si\n0.209490 0.646463 0.410439 Si\n0.209490 0.353536 0.910439 Si\n0.353536 0.209490 0.589561 Si\n0.828779 0.171220 0.750000 Si\n0.171220 0.171220 0.250000 Si\n0.828779 0.828779 0.250000 Si\n0.646463 0.790509 0.589561 Si\n0.000000 0.500000 0.626564 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.750000 Ru\n0.500000 0.500000 0.250000 Ru\n0.500000 0.000000 0.873437 Ru\n0.000000 0.500000 0.126564 Ru\n0.500000 0.000000 0.373437 Ru\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 6.689319756541256,
"density_atomic": 0.07032911571276478,
"volume": 284.37724258731134,
"volume_molar": 8.562798919007278,
"formula_full": "Si12 Ru8",
"formula_reduced": "Si3Ru2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.820465360000001,
"spacegroup": 116
},
{
"id": "jvasp-37224",
"created_at": "2022-09-04T14:37:57.117746Z",
"updated_at": "2022-09-04T14:37:57.117758Z",
"structure_string": "Si3 Ru1\n1.0\n0.000000 3.041082 3.041082\n3.041082 -0.000000 3.041082\n3.041082 3.041082 0.000000\nSi Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 5.471069525295284,
"density_atomic": 0.07111244382311335,
"volume": 56.2489458237392,
"volume_molar": 8.468476733804291,
"formula_full": "Si3 Ru1",
"formula_reduced": "Si3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5507065749999995,
"spacegroup": 225
},
{
"id": "jvasp-23442",
"created_at": "2022-09-04T14:37:33.066514Z",
"updated_at": "2022-09-04T14:37:33.066526Z",
"structure_string": "Si6 Rh10\n1.0\n3.890519 0.000000 0.000000\n0.000000 5.409432 -0.000000\n0.000000 -0.000000 10.392398\nSi Rh\n6 10\ndirect\n0.500000 0.089716 0.656299 Si\n0.500000 0.910283 0.343701 Si\n0.500000 0.589716 0.843702 Si\n0.500000 0.410284 0.156299 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.335784 0.391743 Rh\n0.500000 0.664216 0.608257 Rh\n0.500000 0.835784 0.108257 Rh\n0.500000 0.164216 0.891744 Rh\n0.000000 0.336615 0.711701 Rh\n0.000000 0.663385 0.288299 Rh\n0.000000 0.836615 0.788300 Rh\n0.000000 0.163385 0.211701 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 9.092311438613155,
"density_atomic": 0.07315516691963544,
"volume": 218.71319106655565,
"volume_molar": 8.23201014169733,
"formula_full": "Si6 Rh10",
"formula_reduced": "Si3Rh5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.3926538500000003,
"spacegroup": 55
},
{
"id": "jvasp-58256",
"created_at": "2022-09-04T14:37:55.348236Z",
"updated_at": "2022-09-04T14:37:55.348252Z",
"structure_string": "Si6 Pt4\n1.0\n1.979914 -3.429312 0.000000\n1.979914 3.429312 -0.000000\n0.000000 0.000000 12.144553\nSi Pt\n6 4\ndirect\n0.333332 0.666666 0.433999 Si\n0.666666 0.333332 0.933998 Si\n0.666666 0.333332 0.566001 Si\n0.333332 0.666666 0.066001 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n0.333332 0.666666 0.636570 Pt\n0.666666 0.333332 0.136570 Pt\n0.666666 0.333332 0.363430 Pt\n0.333332 0.666666 0.863430 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 9.553914398811141,
"density_atomic": 0.06063664222496345,
"volume": 164.9167835332925,
"volume_molar": 9.931520841239376,
"formula_full": "Si6 Pt4",
"formula_reduced": "Si3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.03290772,
"spacegroup": 194
},
{
"id": "jvasp-39090",
"created_at": "2022-09-04T14:37:49.950852Z",
"updated_at": "2022-09-04T14:37:49.950884Z",
"structure_string": "Si6 Pt2\n1.0\n3.752567 -6.499637 0.000000\n3.752567 6.499637 0.000000\n0.000000 0.000000 2.743738\nSi Pt\n6 2\ndirect\n0.169235 0.338469 0.250000 Si\n0.661532 0.830766 0.250000 Si\n0.169235 0.830766 0.250000 Si\n0.830766 0.661532 0.750000 Si\n0.338469 0.169235 0.750000 Si\n0.830766 0.169235 0.750000 Si\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Pt"
],
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"density": 6.9314294640816305,
"density_atomic": 0.0597722763654194,
"volume": 133.84131384074763,
"volume_molar": 10.075140393153982,
"formula_full": "Si6 Pt2",
"formula_reduced": "Si3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0095043,
"spacegroup": 194
},
{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
"nsites": 52,
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"elements": [
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"P",
"H"
],
"chemical_system": "H-P-Si",
"density": 1.15077598928981,
"density_atomic": 0.07247828385727682,
"volume": 717.4562811448135,
"volume_molar": 8.308889835000386,
"formula_full": "Si12 P4 H36",
"formula_reduced": "Si3PH9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.3557362538461537,
"spacegroup": 14
},
{
"id": "jvasp-106000",
"created_at": "2022-09-04T14:35:50.794599Z",
"updated_at": "2022-09-04T14:35:50.794635Z",
"structure_string": "Si3 P3 Rh1\n1.0\n4.692116 0.003614 -1.545030\n-0.978886 4.589920 -1.605013\n-0.006214 -0.005739 5.567102\nSi P Rh\n3 3 1\ndirect\n0.586442 0.602270 0.364770 Si\n0.403424 0.409494 0.632812 Si\n0.712258 0.159180 0.158966 Si\n0.839540 0.291756 0.844478 P\n0.150928 0.708918 0.148057 P\n0.292285 0.839911 0.851753 P\n0.000725 0.002867 0.499164 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
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"density": 3.881588481498028,
"density_atomic": 0.05842130312352051,
"volume": 119.8193060705931,
"volume_molar": 10.308124670323345,
"formula_full": "Si3 P3 Rh1",
"formula_reduced": "Si3P3Rh",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.411600757142857,
"spacegroup": 1
},
{
"id": "jvasp-101122",
"created_at": "2022-09-04T14:36:42.006244Z",
"updated_at": "2022-09-04T14:36:42.006257Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.700803 0.003103 -1.528420\n-0.996696 4.591905 -1.597064\n-0.004395 -0.002425 5.539664\nSi P Ir\n3 3 1\ndirect\n0.412953 0.401714 0.637594 Si\n0.594365 0.590725 0.366178 Si\n0.288854 0.841193 0.841352 Si\n0.160116 0.707786 0.154890 P\n0.845652 0.293634 0.850351 P\n0.705474 0.161029 0.148884 P\n0.998382 0.998117 0.500752 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.131221606343938,
"density_atomic": 0.05855701806355394,
"volume": 119.54160630930113,
"volume_molar": 10.284233998158792,
"formula_full": "Si3 P3 Ir1",
"formula_reduced": "Si3P3Ir",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.689113342857143,
"spacegroup": 1
},
{
"id": "jvasp-39084",
"created_at": "2022-09-04T14:37:48.443325Z",
"updated_at": "2022-09-04T14:37:48.443344Z",
"structure_string": "Si3 P1\n1.0\n-0.000000 3.134965 3.134965\n3.134965 -0.000000 3.134965\n3.134965 3.134965 -0.000000\nSi P\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250001 0.250001 0.250001 Si\n0.749997 0.749997 0.749997 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "P-Si",
"density": 3.105185585541567,
"density_atomic": 0.06491303365609498,
"volume": 61.620906845792156,
"volume_molar": 9.2772443696052,
"formula_full": "Si3 P1",
"formula_reduced": "Si3P",
"formula_anonymous": "AB3",
"energy_above_hull": 3.259697824999999,
"spacegroup": 225
}
]
}