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=3799",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3797",
"results": [
{
"id": "jvasp-24378",
"created_at": "2022-09-04T14:37:52.942882Z",
"updated_at": "2022-09-04T14:37:52.942903Z",
"structure_string": "Ta4 S9 Br8\n1.0\n6.499067 0.000000 2.507834\n3.249533 9.065564 1.253917\n-0.014100 0.000000 9.711644\nTa S Br\n4 9 8\ndirect\n0.116778 0.816241 0.816241 Ta\n0.933019 0.183759 0.816240 Ta\n0.749260 0.183759 0.183759 Ta\n0.933019 0.816241 0.183759 Ta\n0.314231 -0.000000 0.729835 S\n0.731625 -0.000000 0.395681 S\n0.044068 0.270164 0.000000 S\n0.820757 -0.000000 -0.000000 S\n0.314231 0.729836 0.000000 S\n0.127305 0.604318 0.000000 S\n0.127305 -0.000000 0.604318 S\n0.731625 0.395681 -0.000000 S\n0.044068 -0.000000 0.270164 S\n0.586429 0.234328 0.765671 Br\n0.352100 0.234328 0.234328 Br\n0.820757 0.765671 0.765671 Br\n0.440095 0.638665 0.638665 Br\n0.586429 0.765671 0.234328 Br\n0.078760 0.361335 0.638665 Br\n0.717425 0.361335 0.361335 Br\n0.078760 0.638665 0.361335 Br\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ta",
"S",
"Br"
],
"chemical_system": "Br-S-Ta",
"density": 4.790428632887885,
"density_atomic": 0.03668068667368271,
"volume": 572.5083662369622,
"volume_molar": 16.417742703602944,
"formula_full": "Ta4 S9 Br8",
"formula_reduced": "Ta4S9Br8",
"formula_anonymous": "A4B8C9",
"energy_above_hull": 2.569584744761905,
"spacegroup": 107
},
{
"id": "jvasp-105988",
"created_at": "2022-09-04T14:36:18.247889Z",
"updated_at": "2022-09-04T14:36:18.247917Z",
"structure_string": "Ta4 Se1 S1\n1.0\n3.363743 -0.000000 0.000000\n0.000000 3.363743 -0.000000\n-0.000000 -0.000000 9.769114\nTa Se S\n4 1 1\ndirect\n0.500000 0.500000 0.243521 Ta\n0.000000 0.000000 0.745006 Ta\n0.500000 0.500000 0.918959 Ta\n0.000000 0.000000 0.075207 Ta\n0.000000 0.000000 0.372388 Se\n0.500000 0.500000 0.644916 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Se",
"S"
],
"chemical_system": "S-Se-Ta",
"density": 12.541207124382318,
"density_atomic": 0.054281327324077096,
"volume": 110.53524841384326,
"volume_molar": 11.09431374816218,
"formula_full": "Ta4 Se1 S1",
"formula_reduced": "Ta4SeS",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.486435027777777,
"spacegroup": 99
},
{
"id": "jvasp-16039",
"created_at": "2022-09-04T14:37:01.137577Z",
"updated_at": "2022-09-04T14:37:01.137604Z",
"structure_string": "Ta5 As4\n1.0\n3.353663 -0.000000 0.830105\n1.676832 6.991263 0.415052\n-0.002965 -0.000001 7.201513\nTa As\n5 4\ndirect\n0.693861 0.937551 0.674725 Ta\n0.368588 0.325274 0.937550 Ta\n0.631412 0.674726 0.062448 Ta\n0.306139 0.062449 0.325274 Ta\n0.000000 0.000000 0.000000 Ta\n0.948076 0.766203 0.337642 As\n0.285721 0.662357 0.766202 As\n0.714280 0.337643 0.233796 As\n0.051924 0.233797 0.662357 As\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"As"
],
"chemical_system": "As-Ta",
"density": 11.843664122134701,
"density_atomic": 0.053296592645287584,
"volume": 168.8663299715797,
"volume_molar": 11.299297874593996,
"formula_full": "Ta5 As4",
"formula_reduced": "Ta5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.581127,
"spacegroup": 87
},
{
"id": "jvasp-24785",
"created_at": "2022-09-04T14:38:30.223823Z",
"updated_at": "2022-09-04T14:38:30.223845Z",
"structure_string": "Ta5 B6\n1.0\n3.122277 0.000000 -0.433557\n0.000000 3.315303 0.000000\n0.005007 0.000000 11.495425\nTa B\n5 6\ndirect\n0.194133 0.500000 0.388265 Ta\n0.805869 0.500000 0.611734 Ta\n0.385482 0.000000 0.770962 Ta\n0.614519 0.000000 0.229037 Ta\n0.000000 0.000000 0.000000 Ta\n0.460437 0.500000 0.920872 B\n0.539564 0.500000 0.079128 B\n0.272944 0.000000 0.545887 B\n0.727058 0.000000 0.454113 B\n0.082006 0.500000 0.164012 B\n0.917995 0.500000 0.835988 B\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 13.53001156838976,
"density_atomic": 0.09243718897932296,
"volume": 118.99972426098506,
"volume_molar": 6.514846271825809,
"formula_full": "Ta5 B6",
"formula_reduced": "Ta5B6",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.582763772727272,
"spacegroup": 65
},
{
"id": "jvasp-59502",
"created_at": "2022-09-04T14:38:35.203973Z",
"updated_at": "2022-09-04T14:38:35.204000Z",
"structure_string": "Ta10 Ge6\n1.0\n3.825390 -6.625770 -0.000000\n3.825390 6.625770 -0.000000\n-0.000000 -0.000000 5.338236\nTa Ge\n10 6\ndirect\n0.235453 0.000000 0.250000 Ta\n0.764547 0.000000 0.750001 Ta\n0.235453 0.235453 0.750001 Ta\n0.000000 0.235453 0.250000 Ta\n0.764547 0.764547 0.250000 Ta\n0.000000 0.764547 0.750001 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.000000 0.603054 0.250000 Ge\n0.603054 0.603054 0.750001 Ge\n0.396946 0.000000 0.750001 Ge\n0.603054 0.000000 0.250000 Ge\n0.396946 0.396946 0.250000 Ge\n0.000000 0.396946 0.750001 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 13.778034578235253,
"density_atomic": 0.05912622378965783,
"volume": 270.6075066948326,
"volume_molar": 10.185228100180778,
"formula_full": "Ta10 Ge6",
"formula_reduced": "Ta5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.21176048125,
"spacegroup": 193
},
{
"id": "jvasp-98462",
"created_at": "2022-09-04T14:36:16.657362Z",
"updated_at": "2022-09-04T14:36:16.657383Z",
"structure_string": "Ta10 Ge6\n1.0\n4.880642 0.000000 1.775559\n2.440321 7.183803 0.887780\n-0.015646 0.000000 7.638723\nTa Ge\n10 6\ndirect\n0.276001 0.149628 0.298369 Ta\n0.723997 0.850372 0.701631 Ta\n0.425629 0.298369 0.850372 Ta\n0.574370 0.701631 0.149628 Ta\n0.925629 0.850372 0.298369 Ta\n0.223997 0.701631 0.850372 Ta\n0.776001 0.298369 0.149628 Ta\n0.074370 0.149628 0.701631 Ta\n0.749999 0.500000 0.500000 Ta\n0.249999 0.500000 0.500000 Ta\n0.833029 0.500000 0.833941 Ge\n0.666970 0.166059 0.500000 Ge\n0.333029 0.833940 0.500000 Ge\n0.166970 0.500000 0.166059 Ge\n0.750000 -0.000000 0.000000 Ge\n0.250000 -0.000000 0.000000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 13.910780233961582,
"density_atomic": 0.05969588046333015,
"volume": 268.0251949684944,
"volume_molar": 10.088034070791982,
"formula_full": "Ta10 Ge6",
"formula_reduced": "Ta5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.19965423125,
"spacegroup": 140
},
{
"id": "jvasp-20177",
"created_at": "2022-09-04T14:37:52.909793Z",
"updated_at": "2022-09-04T14:37:52.909816Z",
"structure_string": "Ta10 N12\n1.0\n2.609163 -4.519202 -0.000000\n2.609163 4.519202 -0.000000\n-0.000000 -0.000000 10.482119\nTa N\n10 12\ndirect\n0.676243 0.676243 0.250000 Ta\n0.676244 -0.000000 0.750000 Ta\n-0.000000 0.676244 0.750000 Ta\n-0.000000 0.323756 0.250000 Ta\n0.323756 -0.000000 0.250000 Ta\n0.323756 0.323756 0.750000 Ta\n0.333333 0.666666 0.500000 Ta\n0.666666 0.333333 0.000000 Ta\n0.666666 0.333333 0.500000 Ta\n0.333333 0.666666 0.000000 Ta\n-0.000000 0.340340 0.878028 N\n-0.000000 0.659660 0.378028 N\n0.659660 -0.000000 0.378028 N\n0.340340 0.340340 0.121972 N\n0.659660 -0.000000 0.121972 N\n0.340340 -0.000000 0.621972 N\n-0.000000 0.659660 0.121972 N\n-0.000000 0.340340 0.621972 N\n0.659659 0.659659 0.621972 N\n0.340340 0.340340 0.378028 N\n0.659659 0.659659 0.878028 N\n0.340340 -0.000000 0.878028 N\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 13.28423483041944,
"density_atomic": 0.08899807932107358,
"volume": 247.1963458967669,
"volume_molar": 6.766596319763541,
"formula_full": "Ta10 N12",
"formula_reduced": "Ta5N6",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.980515954545455,
"spacegroup": 193
},
{
"id": "jvasp-14974",
"created_at": "2022-09-04T14:35:58.908381Z",
"updated_at": "2022-09-04T14:35:58.908405Z",
"structure_string": "Ta5 Sb4\n1.0\n3.491584 -0.000000 0.854476\n1.745792 7.323859 0.427238\n0.004839 -0.000000 7.541168\nTa Sb\n5 4\ndirect\n0.625371 0.060217 0.689041 Ta\n0.314411 0.310960 0.060217 Ta\n0.685588 0.689040 0.939784 Ta\n0.374628 0.939783 0.310961 Ta\n0.000000 0.000000 0.000000 Ta\n0.704060 0.241722 0.350157 Sb\n0.054217 0.649844 0.241722 Sb\n0.945782 0.350156 0.758279 Sb\n0.295938 0.758278 0.649844 Sb\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"Sb"
],
"chemical_system": "Sb-Ta",
"density": 11.986340778290662,
"density_atomic": 0.04667771936430834,
"volume": 192.81147670813073,
"volume_molar": 12.90153169866472,
"formula_full": "Ta5 Sb4",
"formula_reduced": "Ta5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.248972266666666,
"spacegroup": 87
},
{
"id": "jvasp-58240",
"created_at": "2022-09-04T14:37:50.012709Z",
"updated_at": "2022-09-04T14:37:50.012723Z",
"structure_string": "Ta10 Si6\n1.0\n3.771504 -6.532437 0.000000\n3.771504 6.532437 0.000000\n0.000000 -0.000000 5.282043\nTa Si\n10 6\ndirect\n-0.000000 0.243839 0.250000 Ta\n-0.000001 0.756160 0.750000 Ta\n0.756160 -0.000001 0.750000 Ta\n0.756160 0.756160 0.250000 Ta\n0.243839 -0.000000 0.250000 Ta\n0.243839 0.243839 0.750000 Ta\n0.333332 0.666667 0.500000 Ta\n0.666667 0.333332 0.000000 Ta\n0.666667 0.333332 0.500000 Ta\n0.333332 0.666667 0.000000 Ta\n0.395561 0.395561 0.250000 Si\n0.395562 -0.000000 0.750000 Si\n-0.000000 0.395562 0.750000 Si\n-0.000000 0.604438 0.250000 Si\n0.604438 -0.000000 0.250000 Si\n0.604437 0.604437 0.750000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.61978202411762,
"density_atomic": 0.061474959591656435,
"volume": 260.26857286737555,
"volume_molar": 9.796087382572829,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.206845225,
"spacegroup": 193
},
{
"id": "jvasp-20269",
"created_at": "2022-09-04T14:37:55.812869Z",
"updated_at": "2022-09-04T14:37:55.812882Z",
"structure_string": "Ta10 Si6\n1.0\n5.925271 -0.000000 -2.850745\n-1.371538 5.764354 -2.850739\n-0.007571 -0.009573 7.567472\nTa Si\n10 6\ndirect\n0.184882 0.013382 0.698265 Ta\n0.013383 0.513382 0.698265 Ta\n0.684886 0.184884 0.698258 Ta\n0.986617 0.486618 0.301735 Ta\n0.513372 0.684884 0.698257 Ta\n0.815118 0.986618 0.301735 Ta\n0.486627 0.315116 0.301743 Ta\n0.315114 0.815116 0.301742 Ta\n0.500000 0.500000 -0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.630766 0.130767 0.999994 Si\n0.869227 0.630767 0.999994 Si\n0.130773 0.369233 0.000006 Si\n0.369233 0.869233 0.000006 Si\n0.750003 0.750000 0.500000 Si\n0.249997 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Si"
],
"chemical_system": "Si-Ta",
"density": 12.723537496292503,
"density_atomic": 0.061980385394350516,
"volume": 258.1461844452873,
"volume_molar": 9.716204121165266,
"formula_full": "Ta10 Si6",
"formula_reduced": "Ta5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 6.192755225,
"spacegroup": 140
},
{
"id": "jvasp-120465",
"created_at": "2022-09-04T14:38:38.895585Z",
"updated_at": "2022-09-04T14:38:38.895611Z",
"structure_string": "Ta6 Be15 Ni8\n1.0\n6.523976 -0.000000 3.766620\n2.174659 6.150864 3.766620\n-0.000000 -0.000000 7.533239\nTa Be Ni\n6 15 8\ndirect\n0.702205 0.297796 0.297796 Ta\n0.297796 0.702204 0.702204 Ta\n0.297796 0.702204 0.297796 Ta\n0.702205 0.297796 0.702204 Ta\n0.297796 0.297796 0.702204 Ta\n0.702205 0.702204 0.297796 Ta\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.980034 0.673322 0.673323 Be\n0.500000 0.000000 -0.000000 Be\n0.673323 0.980032 0.673323 Be\n0.673323 0.673322 0.980033 Be\n0.326678 0.019967 0.326677 Be\n0.326678 0.326677 0.019967 Be\n0.673323 0.673322 0.673323 Be\n0.326678 0.326677 0.326677 Be\n0.019967 0.326677 0.326677 Be\n0.631438 0.122854 0.122854 Ni\n0.122854 0.122854 0.122854 Ni\n0.877146 0.877146 0.877146 Ni\n0.122854 0.122854 0.631438 Ni\n0.122855 0.631438 0.122853 Ni\n0.877146 0.877146 0.368562 Ni\n0.877146 0.368562 0.877146 Ni\n0.368563 0.877145 0.877146 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ni"
],
"chemical_system": "Be-Ni-Ta",
"density": 9.285659999812214,
"density_atomic": 0.095932944035938,
"volume": 302.29448591858227,
"volume_molar": 6.277448086805312,
"formula_full": "Ta6 Be15 Ni8",
"formula_reduced": "Ta6Be15Ni8",
"formula_anonymous": "A6B8C15",
"energy_above_hull": 3.360051237931034,
"spacegroup": 225
},
{
"id": "jvasp-56566",
"created_at": "2022-09-04T14:38:34.508033Z",
"updated_at": "2022-09-04T14:38:34.508055Z",
"structure_string": "Ta6 Co16 Si7\n1.0\n6.846847 0.000000 3.953029\n2.282283 6.455269 3.953029\n-0.000000 -0.000000 7.906058\nTa Co Si\n6 16 7\ndirect\n0.797922 0.797922 0.202079 Ta\n0.797922 0.202079 0.797922 Ta\n0.202079 0.202079 0.797922 Ta\n0.202078 0.797922 0.202079 Ta\n0.202078 0.797922 0.797922 Ta\n0.797922 0.202079 0.202079 Ta\n0.496414 0.834529 0.834529 Co\n0.144062 0.618646 0.618646 Co\n0.834529 0.834529 0.834529 Co\n0.381354 0.381354 0.381354 Co\n0.855938 0.381354 0.381354 Co\n0.618646 0.618646 0.618646 Co\n0.381354 0.855938 0.381354 Co\n0.165471 0.165471 0.165471 Co\n0.165471 0.503586 0.165472 Co\n0.834529 0.496414 0.834529 Co\n0.165471 0.165471 0.503586 Co\n0.834529 0.834529 0.496414 Co\n0.381354 0.381354 0.855938 Co\n0.503586 0.165471 0.165471 Co\n0.618646 0.144062 0.618646 Co\n0.618646 0.618646 0.144062 Co\n0.500000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 -0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n0.500000 -0.000000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ta",
"density": 10.57441822914679,
"density_atomic": 0.0829913891332624,
"volume": 349.43384250905365,
"volume_molar": 7.256344089300664,
"formula_full": "Ta6 Co16 Si7",
"formula_reduced": "Ta6Co16Si7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 5.069084131034482,
"spacegroup": 225
}
]
}