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=4479",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4477",
"results": [
{
"id": "jvasp-55293",
"created_at": "2022-09-04T14:38:10.475686Z",
"updated_at": "2022-09-04T14:38:10.475733Z",
"structure_string": "Ba2 Co1 B6 O12\n1.0\n6.876768 -0.073261 -0.052022\n3.261777 6.056063 -0.049024\n3.261771 1.922193 5.743371\nBa Co B O\n2 1 6 12\ndirect\n0.788024 0.788071 0.788092 Ba\n0.211977 0.211928 0.211909 Ba\n0.000000 0.000000 0.000000 Co\n0.241850 0.635548 0.354749 B\n0.758150 0.364451 0.645252 B\n0.645370 0.758029 0.364450 B\n0.354631 0.241970 0.635551 B\n0.364547 0.645283 0.758060 B\n0.635454 0.354716 0.241941 B\n0.572278 0.195263 0.462864 O\n0.082331 0.842032 0.315088 O\n0.315000 0.082459 0.842039 O\n0.158052 0.684938 0.917574 O\n0.537221 0.427615 0.804720 O\n0.917669 0.157967 0.684913 O\n0.685001 0.917540 0.157962 O\n0.804812 0.537074 0.427558 O\n0.841949 0.315061 0.082427 O\n0.195189 0.462924 0.572443 O\n0.462780 0.572384 0.195281 O\n0.427723 0.804736 0.537137 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Co",
"B",
"O"
],
"chemical_system": "B-Ba-Co-O",
"density": 4.052773789263444,
"density_atomic": 0.0868045279826421,
"volume": 241.92286379576043,
"volume_molar": 6.937588280192273,
"formula_full": "Ba2 Co1 B6 O12",
"formula_reduced": "Ba2Co(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.4126033495238093,
"spacegroup": 148
},
{
"id": "jvasp-90333",
"created_at": "2022-09-04T14:35:48.081935Z",
"updated_at": "2022-09-04T14:35:48.081963Z",
"structure_string": "Ba2 Co1 Ag2 Se2 O2\n1.0\n4.106775 0.000000 -0.000000\n0.000000 4.106775 -0.000000\n-2.053388 -2.053388 10.731177\nBa Co Ag Se O\n2 1 2 2 2\ndirect\n0.587695 0.587695 0.175392 Ba\n0.412304 0.412304 0.824608 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.749999 0.500000 Ag\n0.749999 0.250000 0.500000 Ag\n0.837535 0.837535 0.675072 Se\n0.162464 0.162464 0.324928 Se\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Ag",
"Se",
"O"
],
"chemical_system": "Ag-Ba-Co-O-Se",
"density": 6.78245288380642,
"density_atomic": 0.049727122834478096,
"volume": 180.98774847596627,
"volume_molar": 12.110374412863829,
"formula_full": "Ba2 Co1 Ag2 Se2 O2",
"formula_reduced": "Ba2CoAg2(SeO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.1461812325925926,
"spacegroup": 139
},
{
"id": "jvasp-120551",
"created_at": "2022-09-04T14:38:53.204987Z",
"updated_at": "2022-09-04T14:38:53.205013Z",
"structure_string": "Ba4 Co8 Br2 O14\n1.0\n5.659633 0.010709 1.060905\n2.721096 4.962580 1.060905\n-0.053367 -0.031669 15.887631\nBa Co Br O\n4 8 2 14\ndirect\n0.429984 0.435519 0.702135 Ba\n0.564481 0.570016 0.297865 Ba\n0.283248 0.288709 0.141502 Ba\n0.711290 0.716752 0.858497 Ba\n-0.002826 0.502826 0.499998 Co\n-0.002830 0.002829 0.500000 Co\n0.497174 0.002826 0.500002 Co\n0.100705 0.106225 0.689975 Co\n0.893775 0.899294 0.310024 Co\n0.779622 0.785184 0.653103 Co\n0.214816 0.220378 0.346896 Co\n0.497191 0.502809 0.500000 Co\n0.357635 0.363080 0.919418 Br\n0.636920 0.642365 0.080582 Br\n0.339053 0.887116 0.431836 O\n0.443148 0.917177 0.725719 O\n0.911656 0.448687 0.725705 O\n0.911644 0.917162 0.725715 O\n0.551313 0.088343 0.274294 O\n0.082823 0.556852 0.274280 O\n0.082838 0.088356 0.274285 O\n0.852038 0.857704 0.435277 O\n0.142296 0.147962 0.564723 O\n0.112884 0.660947 0.568163 O\n0.655296 0.118522 0.568169 O\n0.655301 0.660956 0.568170 O\n0.881478 0.344704 0.431831 O\n0.339044 0.344699 0.431829 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Br",
"O"
],
"chemical_system": "Ba-Br-Co-O",
"density": 5.227814522728134,
"density_atomic": 0.06276026078625778,
"volume": 446.14218693831475,
"volume_molar": 9.595468031131304,
"formula_full": "Ba4 Co8 Br2 O14",
"formula_reduced": "Ba2Co4BrO7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.4780152960714283,
"spacegroup": 166
},
{
"id": "jvasp-35827",
"created_at": "2022-09-04T14:37:18.949243Z",
"updated_at": "2022-09-04T14:37:18.949273Z",
"structure_string": "Ba2 Cl1 F3\n1.0\n2.236761 -3.874184 0.000000\n2.236761 3.874184 -0.000000\n0.000000 0.000000 7.253871\nBa Cl F\n2 1 3\ndirect\n0.666667 0.333333 0.205445 Ba\n0.333333 0.666667 0.794555 Ba\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 F\n0.666667 0.333333 0.829403 F\n0.333333 0.666667 0.170597 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 4.848824298500466,
"density_atomic": 0.04772562249840905,
"volume": 125.71863258986326,
"volume_molar": 12.618255026847999,
"formula_full": "Ba2 Cl1 F3",
"formula_reduced": "Ba2ClF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-114554",
"created_at": "2022-09-04T14:38:40.807378Z",
"updated_at": "2022-09-04T14:38:40.807400Z",
"structure_string": "Ba2 Cl1\n1.0\n4.080616 0.000000 0.868041\n0.000000 3.956789 0.000000\n0.260129 0.000000 8.689112\nBa Cl\n2 1\ndirect\n0.106966 0.000000 -0.148413 Ba\n-0.173661 0.000000 0.415085 Ba\n0.466695 0.000000 0.133328 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.6939519482327796,
"density_atomic": 0.021520473837051343,
"volume": 139.40213504197865,
"volume_molar": 27.983309315577465,
"formula_full": "Ba2 Cl1",
"formula_reduced": "Ba2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2000853233333332,
"spacegroup": 65
},
{
"id": "jvasp-114553",
"created_at": "2022-09-04T14:38:42.215402Z",
"updated_at": "2022-09-04T14:38:42.215430Z",
"structure_string": "Ba2 Cl1\n1.0\n4.223252 0.571267 -0.382376\n0.530715 -4.207954 -0.562061\n-0.864016 0.970094 -8.083315\nBa Cl\n2 1\ndirect\n0.123535 0.463193 0.314301 Ba\n0.623431 0.963264 0.740038 Ba\n0.123598 0.963301 0.027172 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.435832373710472,
"density_atomic": 0.020016703450163764,
"volume": 149.8748286634309,
"volume_molar": 30.085577153068783,
"formula_full": "Ba2 Cl1",
"formula_reduced": "Ba2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1731186566666666,
"spacegroup": 115
},
{
"id": "jvasp-105552",
"created_at": "2022-09-04T14:37:00.367480Z",
"updated_at": "2022-09-04T14:37:00.367503Z",
"structure_string": "Ba2 Ce1 Zr1 O6\n1.0\n4.332871 0.000000 0.000000\n0.000000 4.332871 0.000000\n-0.000000 -0.000000 8.746732\nBa Ce Zr O\n2 1 1 6\ndirect\n0.500000 0.500000 0.262008 Ba\n0.500000 0.500000 0.737992 Ba\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.262881 O\n0.000000 0.000000 0.737119 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Zr",
"density": 6.08753294574546,
"density_atomic": 0.0608979483611126,
"volume": 164.2091444641453,
"volume_molar": 9.888905820422579,
"formula_full": "Ba2 Ce1 Zr1 O6",
"formula_reduced": "Ba2CeZrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.104834294,
"spacegroup": 123
},
{
"id": "jvasp-12397",
"created_at": "2022-09-04T14:38:13.607774Z",
"updated_at": "2022-09-04T14:38:13.607801Z",
"structure_string": "Ba2 Ce1 Pt1 O6\n1.0\n5.196570 0.000000 3.000241\n1.732190 4.899374 3.000241\n-0.000000 -0.000000 6.000483\nBa Ce Pt O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750000 Ba\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Pt\n0.239101 0.760899 0.760899 O\n0.239101 0.760899 0.239100 O\n0.760899 0.239100 0.760899 O\n0.239101 0.239100 0.760899 O\n0.760899 0.239100 0.239100 O\n0.760900 0.760899 0.239100 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ce",
"Pt",
"O"
],
"chemical_system": "Ba-Ce-O-Pt",
"density": 7.672169304551301,
"density_atomic": 0.06545704798428388,
"volume": 152.7719368340745,
"volume_molar": 9.200141077926254,
"formula_full": "Ba2 Ce1 Pt1 O6",
"formula_reduced": "Ba2CePtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.987186984,
"spacegroup": 225
},
{
"id": "jvasp-69114",
"created_at": "2022-09-04T14:36:14.291596Z",
"updated_at": "2022-09-04T14:36:14.291622Z",
"structure_string": "Ba2 Cd1 Te1\n1.0\n0.000000 4.211088 4.211088\n4.211088 0.000000 4.211088\n4.211088 4.211088 0.000000\nBa Cd Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Te"
],
"chemical_system": "Ba-Cd-Te",
"density": 5.722170387206138,
"density_atomic": 0.026782249064045627,
"volume": 149.35265482874928,
"volume_molar": 22.485567756460544,
"formula_full": "Ba2 Cd1 Te1",
"formula_reduced": "Ba2CdTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105117",
"created_at": "2022-09-04T14:36:49.380069Z",
"updated_at": "2022-09-04T14:36:49.380089Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n5.177059 -0.000000 2.988977\n1.725686 4.880978 2.988977\n-0.000000 -0.000000 5.977953\nBa Cd Sn\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 5.559861785460875,
"density_atomic": 0.026479972548869413,
"volume": 151.05755841014962,
"volume_molar": 22.74224699019607,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69243",
"created_at": "2022-09-04T14:35:45.094577Z",
"updated_at": "2022-09-04T14:35:45.094606Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n0.000000 4.224966 4.224966\n4.224966 0.000000 4.224966\n4.224966 4.224966 -0.000000\nBa Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 5.568097168131772,
"density_atomic": 0.026519195233797494,
"volume": 150.83413975180454,
"volume_molar": 22.708610524971963,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0066325,
"spacegroup": 225
},
{
"id": "jvasp-88985",
"created_at": "2022-09-04T14:36:12.403728Z",
"updated_at": "2022-09-04T14:36:12.403750Z",
"structure_string": "Ba8 Cd4 Se12\n1.0\n4.528968 0.000000 0.000000\n0.000000 9.320019 0.000000\n0.000000 0.000000 18.039943\nBa Cd Se\n8 4 12\ndirect\n0.750000 0.575219 0.285460 Ba\n0.750000 0.075219 0.214540 Ba\n0.250000 0.924781 0.785460 Ba\n0.750000 0.740821 0.539699 Ba\n0.250000 0.759179 0.039699 Ba\n0.750000 0.240821 0.960301 Ba\n0.250000 0.259179 0.460301 Ba\n0.250000 0.424781 0.714540 Ba\n0.250000 0.874490 0.366451 Cd\n0.250000 0.374490 0.133549 Cd\n0.750000 0.125510 0.633549 Cd\n0.750000 0.625510 0.866451 Cd\n0.250000 0.485143 0.904213 Se\n0.750000 0.189676 0.777902 Se\n0.250000 0.810324 0.222098 Se\n0.750000 0.689676 0.722098 Se\n0.250000 0.115232 0.071969 Se\n0.750000 0.384768 0.571968 Se\n0.250000 0.615232 0.428031 Se\n0.750000 0.014857 0.404213 Se\n0.250000 0.985143 0.595787 Se\n0.750000 0.514857 0.095787 Se\n0.250000 0.310324 0.277902 Se\n0.750000 0.884769 0.928031 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 5.442572046889328,
"density_atomic": 0.03151810012818648,
"volume": 761.4672173256065,
"volume_molar": 19.106928195251303,
"formula_full": "Ba8 Cd4 Se12",
"formula_reduced": "Ba2CdSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3388578952777777,
"spacegroup": 62
}
]
}