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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1250",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1248",
"results": [
{
"id": "jvasp-88690",
"created_at": "2022-09-04T14:35:52.811404Z",
"updated_at": "2022-09-04T14:35:52.811429Z",
"structure_string": "Sb4 Cl12 F8\n1.0\n6.528304 -0.000000 2.624140\n3.264153 9.094344 1.312071\n-0.127680 0.000000 9.750231\nSb Cl F\n4 12 8\ndirect\n0.212368 0.820961 0.726824 Sb\n0.939192 0.273176 0.820961 Sb\n0.760153 0.179039 0.273176 Sb\n0.033331 0.726824 0.179039 Sb\n0.675317 0.100043 0.515622 Cl\n0.503089 0.846122 0.769137 Cl\n0.118348 0.153878 0.230863 Cl\n0.272226 0.230863 0.846122 Cl\n0.775359 0.515622 0.899957 Cl\n0.190940 0.484378 0.100043 Cl\n0.346825 0.567216 0.695113 Cl\n0.914041 0.695113 0.432784 Cl\n0.349211 0.769136 0.153878 Cl\n0.609155 0.432783 0.304887 Cl\n0.041939 0.304887 0.567216 Cl\n0.290981 0.899957 0.484378 Cl\n0.673574 0.250258 0.836759 F\n0.886492 0.956880 0.203726 F\n0.760592 0.749741 0.163241 F\n0.510334 0.163241 0.250259 F\n0.923832 0.836759 0.749742 F\n0.090218 0.796274 0.956881 F\n0.843372 0.203726 0.043120 F\n0.047099 0.043119 0.796274 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cl",
"F"
],
"chemical_system": "Cl-F-Sb",
"density": 3.037477633120466,
"density_atomic": 0.04124246082736508,
"volume": 581.9245388984061,
"volume_molar": 14.601797853934572,
"formula_full": "Sb4 Cl12 F8",
"formula_reduced": "SbCl3F2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1250205434374999,
"spacegroup": 79
},
{
"id": "jvasp-12461",
"created_at": "2022-09-04T14:37:27.952728Z",
"updated_at": "2022-09-04T14:37:27.952750Z",
"structure_string": "Sb4 Cl12\n1.0\n6.304463 -0.000000 0.000000\n0.000000 7.819758 0.000000\n0.000000 0.000000 9.093831\nSb Cl\n4 12\ndirect\n0.981231 0.026680 0.750000 Sb\n0.481231 0.473320 0.250000 Sb\n0.518768 0.526680 0.750000 Sb\n0.018769 0.973320 0.250000 Sb\n0.132947 0.180938 0.435456 Cl\n0.632947 0.319062 0.564544 Cl\n0.367053 0.680938 0.064544 Cl\n0.867052 0.819062 0.935456 Cl\n0.652203 0.059540 0.250000 Cl\n0.152204 0.440460 0.750000 Cl\n0.847796 0.559540 0.250000 Cl\n0.347796 0.940460 0.750000 Cl\n0.132947 0.180938 0.064544 Cl\n0.632947 0.319062 0.935456 Cl\n0.367053 0.680938 0.435456 Cl\n0.867052 0.819062 0.564544 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Cl"
],
"chemical_system": "Cl-Sb",
"density": 3.3797319367070315,
"density_atomic": 0.035688779033663645,
"volume": 448.3201844733301,
"volume_molar": 16.87404535279725,
"formula_full": "Sb4 Cl12",
"formula_reduced": "SbCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.255622075625,
"spacegroup": 62
},
{
"id": "jvasp-38027",
"created_at": "2022-09-04T14:38:13.383588Z",
"updated_at": "2022-09-04T14:38:13.383610Z",
"structure_string": "Sb2 Br2 O2\n1.0\n3.837941 -0.000000 -0.000000\n0.000000 3.837941 -0.000000\n0.000000 0.000000 8.284620\nSb Br O\n2 2 2\ndirect\n0.500000 0.000000 0.852192 Sb\n0.000000 0.500000 0.147808 Sb\n0.000000 0.500000 0.662973 Br\n0.500000 0.000000 0.337027 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.923730890654484,
"density_atomic": 0.049167946370693674,
"volume": 122.03072210427467,
"volume_molar": 12.248103092606426,
"formula_full": "Sb2 Br2 O2",
"formula_reduced": "SbBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7889745683333335,
"spacegroup": 129
},
{
"id": "jvasp-32786",
"created_at": "2022-09-04T14:38:29.358106Z",
"updated_at": "2022-09-04T14:38:29.358121Z",
"structure_string": "Sb4 Br12\n1.0\n6.727004 -0.000000 0.000000\n-0.000000 8.029006 0.000000\n0.000000 0.000000 9.809923\nSb Br\n4 12\ndirect\n0.477409 0.479537 0.250000 Sb\n0.977409 0.020463 0.750000 Sb\n0.522591 0.520464 0.750000 Sb\n0.022591 -0.020463 0.250000 Sb\n0.643252 0.313431 0.935722 Br\n0.653919 0.064232 0.250000 Br\n0.143252 0.186569 0.064278 Br\n0.143252 0.186569 0.435722 Br\n0.153920 0.435769 0.750000 Br\n0.346080 0.935769 0.750000 Br\n0.356748 0.686570 0.064278 Br\n0.856747 0.813431 0.935722 Br\n0.356748 0.686570 0.435722 Br\n0.856747 0.813431 0.564278 Br\n0.643252 0.313431 0.564278 Br\n0.846080 0.564232 0.250000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.531423826838439,
"density_atomic": 0.03019749484094967,
"volume": 529.8452763804437,
"volume_molar": 19.942517721150846,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18811460375,
"spacegroup": 62
},
{
"id": "jvasp-5344",
"created_at": "2022-09-04T14:37:42.498016Z",
"updated_at": "2022-09-04T14:37:42.498037Z",
"structure_string": "Sb4 Br12\n1.0\n4.225031 0.000000 0.000000\n0.000000 9.959519 0.000000\n0.000000 0.000000 12.582748\nSb Br\n4 12\ndirect\n0.206040 0.499948 0.981432 Sb\n0.706040 0.000053 0.018569 Sb\n0.793960 -0.000053 0.518569 Sb\n0.293960 0.500053 0.481432 Sb\n0.538107 0.317637 0.884105 Br\n0.038107 0.182363 0.115895 Br\n0.461893 0.817637 0.615895 Br\n0.961893 0.682363 0.384105 Br\n0.968014 0.499967 0.654742 Br\n0.468014 0.000033 0.345258 Br\n0.031985 -0.000033 0.845258 Br\n0.531985 0.500033 0.154742 Br\n0.962018 0.317729 0.384091 Br\n0.462018 0.182271 0.615909 Br\n0.037982 0.817729 0.115909 Br\n0.537982 0.682271 0.884091 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.534610482743297,
"density_atomic": 0.030218730776700564,
"volume": 529.4729324745969,
"volume_molar": 19.928503299824985,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18917960375,
"spacegroup": 62
},
{
"id": "jvasp-120394",
"created_at": "2022-09-04T14:38:54.199660Z",
"updated_at": "2022-09-04T14:38:54.199686Z",
"structure_string": "Sb1 Au1 F2\n1.0\n3.427692 0.000000 -0.000000\n-0.000000 3.427692 -0.000000\n0.000000 0.000000 5.363895\nSb Au F\n1 1 2\ndirect\n0.500000 0.500000 0.564914 Sb\n0.000000 0.000000 0.901778 Au\n0.000000 0.000000 0.371336 F\n0.500000 0.500000 0.171971 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Sb",
"density": 9.39932825135109,
"density_atomic": 0.06347111706393893,
"volume": 63.02079095237158,
"volume_molar": 9.488001848042902,
"formula_full": "Sb1 Au1 F2",
"formula_reduced": "SbAuF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.16744605875,
"spacegroup": 99
},
{
"id": "jvasp-120395",
"created_at": "2022-09-04T14:38:53.663023Z",
"updated_at": "2022-09-04T14:38:53.663049Z",
"structure_string": "Sb1 Au1 F1\n1.0\n2.971368 0.000000 0.000000\n0.000000 2.971368 0.000000\n0.000000 0.000000 7.120559\nSb Au F\n1 1 1\ndirect\n0.000000 0.000000 0.713119 Sb\n0.000000 0.000000 0.332707 Au\n0.000000 0.000000 0.007931 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Sb",
"density": 8.920419921386575,
"density_atomic": 0.047719323868934724,
"volume": 62.867613301474286,
"volume_molar": 12.619920551557549,
"formula_full": "Sb1 Au1 F1",
"formula_reduced": "SbAuF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3244346508333334,
"spacegroup": 99
},
{
"id": "jvasp-120396",
"created_at": "2022-09-04T14:38:53.907539Z",
"updated_at": "2022-09-04T14:38:53.907568Z",
"structure_string": "Sb1 Au1 F1\n1.0\n4.744867 -0.000000 0.000000\n-2.372434 4.109176 -0.000000\n-0.000000 -0.000000 2.991927\nSb Au F\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Sb\n0.000000 0.000000 0.000000 Au\n0.333334 0.666668 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Sb",
"density": 9.613521294932147,
"density_atomic": 0.051427033731217035,
"volume": 58.335077532946485,
"volume_molar": 11.710068271630576,
"formula_full": "Sb1 Au1 F1",
"formula_reduced": "SbAuF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3410879841666667,
"spacegroup": 187
},
{
"id": "jvasp-102124",
"created_at": "2022-09-04T14:37:03.311536Z",
"updated_at": "2022-09-04T14:37:03.311556Z",
"structure_string": "Sb1 Au3\n1.0\n4.306178 -0.000000 -0.000000\n0.000000 4.306178 -0.000000\n0.000000 0.000000 4.306178\nSb Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 14.820244511739759,
"density_atomic": 0.05009380926212911,
"volume": 79.85018625892356,
"volume_molar": 12.021726534086387,
"formula_full": "Sb1 Au3",
"formula_reduced": "SbAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7405247024999999,
"spacegroup": 221
},
{
"id": "jvasp-75586",
"created_at": "2022-09-04T14:35:47.754228Z",
"updated_at": "2022-09-04T14:35:47.754250Z",
"structure_string": "Sb1 As1 Ru1\n1.0\n0.000000 3.115945 3.115945\n3.115945 0.000000 3.115945\n3.115945 3.115945 -0.000000\nSb As Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"As",
"Ru"
],
"chemical_system": "As-Ru-Sb",
"density": 8.171538963917499,
"density_atomic": 0.04958175662217271,
"volume": 60.50612572807506,
"volume_molar": 12.145880199224184,
"formula_full": "Sb1 As1 Ru1",
"formula_reduced": "SbAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4970494500000004,
"spacegroup": 216
},
{
"id": "jvasp-75831",
"created_at": "2022-09-04T14:36:13.897511Z",
"updated_at": "2022-09-04T14:36:13.897538Z",
"structure_string": "Sb1 As1 Rh1\n1.0\n0.000000 3.138404 3.138404\n3.138404 -0.000000 3.138404\n3.138404 3.138404 -0.000000\nSb As Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"As",
"Rh"
],
"chemical_system": "As-Rh-Sb",
"density": 8.046660253244521,
"density_atomic": 0.048524907156898785,
"volume": 61.82392045181873,
"volume_molar": 12.410411709863174,
"formula_full": "Sb1 As1 Rh1",
"formula_reduced": "SbAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.94153695,
"spacegroup": 216
},
{
"id": "jvasp-63236",
"created_at": "2022-09-04T14:35:47.861491Z",
"updated_at": "2022-09-04T14:35:47.861529Z",
"structure_string": "Sb4 As4 Pd20\n1.0\n-0.000000 6.204188 6.204188\n6.204188 0.000000 6.204188\n6.204188 6.204188 -0.000000\nSb As Pd\n4 4 20\ndirect\n0.375000 0.875000 0.875000 Sb\n0.875000 0.875000 0.375000 Sb\n0.875000 0.375000 0.875000 Sb\n0.875000 0.875000 0.875000 Sb\n0.375000 0.875000 0.375000 As\n0.375000 0.375000 0.875000 As\n0.375000 0.375000 0.375000 As\n0.875000 0.375000 0.375000 As\n0.714137 0.714137 0.285863 Pd\n0.728463 0.090513 0.090513 Pd\n0.090513 0.090513 0.090513 Pd\n0.090513 0.728463 0.090513 Pd\n0.090513 0.090513 0.728463 Pd\n0.021537 0.659487 0.659487 Pd\n0.659487 0.659487 0.659487 Pd\n0.659487 0.659487 0.021537 Pd\n0.659487 0.021537 0.659487 Pd\n0.464137 0.035863 0.035863 Pd\n0.035863 0.464137 0.464137 Pd\n0.035863 0.035863 0.464137 Pd\n0.035863 0.464137 0.035863 Pd\n0.464137 0.035863 0.464137 Pd\n0.285863 0.714137 0.714137 Pd\n0.714137 0.285863 0.285863 Pd\n0.285863 0.714137 0.285863 Pd\n0.714137 0.285863 0.714137 Pd\n0.285863 0.285863 0.714137 Pd\n0.464137 0.464137 0.035863 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"As",
"Pd"
],
"chemical_system": "As-Pd-Sb",
"density": 10.13495078671948,
"density_atomic": 0.058623694915009746,
"volume": 477.6225729305064,
"volume_molar": 10.272537015503127,
"formula_full": "Sb4 As4 Pd20",
"formula_reduced": "SbAsPd5",
"formula_anonymous": "ABC5",
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"spacegroup": 227
}
]
}