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=278",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=276",
"results": [
{
"id": "jvasp-22882",
"created_at": "2022-09-04T14:37:47.904171Z",
"updated_at": "2022-09-04T14:37:47.904192Z",
"structure_string": "Ba8 Ru6 O20\n1.0\n5.789395 0.000000 0.000000\n-2.894698 6.731710 -0.000000\n0.000000 0.000000 13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 0.352524 O\n0.371400 0.242800 0.250000 O\n0.871400 0.242800 0.250000 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.590909492582045,
"density_atomic": 0.06664153512708172,
"volume": 510.1923287806003,
"volume_molar": 9.036617701732277,
"formula_full": "Ba8 Ru6 O20",
"formula_reduced": "Ba4Ru3O10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.573382375294118,
"spacegroup": 64
},
{
"id": "jvasp-66108",
"created_at": "2022-09-04T14:36:02.639230Z",
"updated_at": "2022-09-04T14:36:02.639255Z",
"structure_string": "Ba4 Ru1 Br1\n1.0\n0.000000 4.879098 4.879098\n4.879098 0.000000 4.879098\n4.879098 4.879098 0.000000\nBa Ru Br\n4 1 1\ndirect\n0.122611 0.625797 0.625797 Ba\n0.625797 0.625797 0.625797 Ba\n0.625797 0.122611 0.625797 Ba\n0.625797 0.625797 0.122611 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Br"
],
"chemical_system": "Ba-Br-Ru",
"density": 5.220247260995198,
"density_atomic": 0.025828704926520053,
"volume": 232.29968428805736,
"volume_molar": 23.315689954770697,
"formula_full": "Ba4 Ru1 Br1",
"formula_reduced": "Ba4RuBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7353630808333333,
"spacegroup": 216
},
{
"id": "jvasp-63986",
"created_at": "2022-09-04T14:36:05.050688Z",
"updated_at": "2022-09-04T14:36:05.050707Z",
"structure_string": "Ba4 Ru1 Cl1\n1.0\n-0.000000 4.851273 4.851273\n4.851273 -0.000000 4.851273\n4.851273 4.851273 -0.000000\nBa Ru Cl\n4 1 1\ndirect\n0.122864 0.625712 0.625712 Ba\n0.625712 0.625712 0.625712 Ba\n0.625712 0.122864 0.625712 Ba\n0.625712 0.625712 0.122864 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Cl"
],
"chemical_system": "Ba-Cl-Ru",
"density": 4.987341067239106,
"density_atomic": 0.026275688852287333,
"volume": 228.34796201651977,
"volume_molar": 22.91905949204359,
"formula_full": "Ba4 Ru1 Cl1",
"formula_reduced": "Ba4RuCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.76896974125,
"spacegroup": 216
},
{
"id": "jvasp-66607",
"created_at": "2022-09-04T14:35:41.807615Z",
"updated_at": "2022-09-04T14:35:41.807645Z",
"structure_string": "Ba4 Ru1 Pb1\n1.0\n-0.000000 4.859335 4.859335\n4.859335 -0.000000 4.859335\n4.859335 4.859335 -0.000000\nBa Ru Pb\n4 1 1\ndirect\n0.124565 0.625146 0.625146 Ba\n0.625146 0.625146 0.625146 Ba\n0.625146 0.124565 0.625146 Ba\n0.625146 0.625146 0.124565 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Pb"
],
"chemical_system": "Ba-Pb-Ru",
"density": 6.205291856125117,
"density_atomic": 0.026145125710347814,
"volume": 229.4882826906928,
"volume_molar": 23.03351235223373,
"formula_full": "Ba4 Ru1 Pb1",
"formula_reduced": "Ba4RuPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8270858666666665,
"spacegroup": 216
},
{
"id": "jvasp-66554",
"created_at": "2022-09-04T14:36:17.065377Z",
"updated_at": "2022-09-04T14:36:17.065411Z",
"structure_string": "Ba4 Ru1 Pt1\n1.0\n-0.000000 4.667180 4.667180\n4.667180 0.000000 4.667180\n4.667180 4.667180 0.000000\nBa Ru Pt\n4 1 1\ndirect\n0.125064 0.624978 0.624978 Ba\n0.624978 0.624978 0.624978 Ba\n0.624978 0.125064 0.624978 Ba\n0.624978 0.624978 0.125064 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Pt"
],
"chemical_system": "Ba-Pt-Ru",
"density": 6.904775176599645,
"density_atomic": 0.02950921132635644,
"volume": 203.32634219339647,
"volume_molar": 20.40766421507601,
"formula_full": "Ba4 Ru1 Pt1",
"formula_reduced": "Ba4RuPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2997259633333331,
"spacegroup": 216
},
{
"id": "jvasp-66219",
"created_at": "2022-09-04T14:36:01.732171Z",
"updated_at": "2022-09-04T14:36:01.732200Z",
"structure_string": "Ba4 Ru1 Rh1\n1.0\n0.000000 4.689106 4.689106\n4.689106 0.000000 4.689106\n4.689106 4.689106 0.000000\nBa Ru Rh\n4 1 1\ndirect\n0.125175 0.624942 0.624942 Ba\n0.624942 0.624942 0.624942 Ba\n0.624942 0.125175 0.624942 Ba\n0.624942 0.624942 0.125175 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Rh"
],
"chemical_system": "Ba-Rh-Ru",
"density": 6.066069831315994,
"density_atomic": 0.029097193603841276,
"volume": 206.20545340867196,
"volume_molar": 20.69663776511074,
"formula_full": "Ba4 Ru1 Rh1",
"formula_reduced": "Ba4RuRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3886378966666666,
"spacegroup": 216
},
{
"id": "jvasp-66427",
"created_at": "2022-09-04T14:36:01.108829Z",
"updated_at": "2022-09-04T14:36:01.108857Z",
"structure_string": "Ba4 Ru1 Se1\n1.0\n0.000000 4.782683 4.782683\n4.782683 0.000000 4.782683\n4.782683 4.782683 -0.000000\nBa Ru Se\n4 1 1\ndirect\n0.125525 0.624825 0.624825 Ba\n0.624825 0.624825 0.624825 Ba\n0.624825 0.125525 0.624825 Ba\n0.624825 0.624825 0.125525 Ba\n0.250000 0.250000 0.250000 Ru\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"Se"
],
"chemical_system": "Ba-Ru-Se",
"density": 5.535197918087461,
"density_atomic": 0.02742246339176163,
"volume": 218.79872403449153,
"volume_molar": 21.960611904068383,
"formula_full": "Ba4 Ru1 Se1",
"formula_reduced": "Ba4RuSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.009236291111111,
"spacegroup": 216
},
{
"id": "jvasp-66209",
"created_at": "2022-09-04T14:35:43.752502Z",
"updated_at": "2022-09-04T14:35:43.752528Z",
"structure_string": "Ba4 Ru1 W1\n1.0\n0.000000 4.712438 4.712438\n4.712438 -0.000000 4.712438\n4.712438 4.712438 -0.000000\nBa Ru W\n4 1 1\ndirect\n0.125458 0.624848 0.624848 Ba\n0.624848 0.624848 0.624848 Ba\n0.624848 0.125458 0.624848 Ba\n0.624848 0.624848 0.125458 Ba\n0.250000 0.250000 0.250000 Ru\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"W"
],
"chemical_system": "Ba-Ru-W",
"density": 6.6185325654753555,
"density_atomic": 0.02866713598678798,
"volume": 209.29889901681358,
"volume_molar": 21.00712384653795,
"formula_full": "Ba4 Ru1 W1",
"formula_reduced": "Ba4RuW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.39997073,
"spacegroup": 216
},
{
"id": "jvasp-3039",
"created_at": "2022-09-04T14:36:56.194285Z",
"updated_at": "2022-09-04T14:36:56.194320Z",
"structure_string": "Ba4 Sb2 O1\n1.0\n5.113683 -0.000000 -1.401941\n-0.384348 5.099218 -1.401941\n-0.043997 -0.047437 9.866756\nBa Sb O\n4 2 1\ndirect\n0.670423 0.670424 0.340849 Ba\n0.329576 0.329576 0.659152 Ba\n-0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.862290 0.862291 0.724581 Sb\n0.137709 0.137709 0.275419 Sb\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.234109737247725,
"density_atomic": 0.027279468921700318,
"volume": 256.6032359387916,
"volume_molar": 22.07572580421277,
"formula_full": "Ba4 Sb2 O1",
"formula_reduced": "Ba4Sb2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5243285114285714,
"spacegroup": 139
},
{
"id": "jvasp-64807",
"created_at": "2022-09-04T14:35:59.362417Z",
"updated_at": "2022-09-04T14:35:59.362443Z",
"structure_string": "Ba4 Sb1 Br1\n1.0\n-0.000000 4.988039 4.988039\n4.988039 0.000000 4.988039\n4.988039 4.988039 0.000000\nBa Sb Br\n4 1 1\ndirect\n0.121853 0.626049 0.626049 Ba\n0.626049 0.626049 0.626049 Ba\n0.626049 0.121853 0.626049 Ba\n0.626049 0.626049 0.121853 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Br"
],
"chemical_system": "Ba-Br-Sb",
"density": 5.0240427375033,
"density_atomic": 0.024173065754746852,
"volume": 248.21013854321654,
"volume_molar": 24.912606539439192,
"formula_full": "Ba4 Sb1 Br1",
"formula_reduced": "Ba4SbBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1439469899999999,
"spacegroup": 216
},
{
"id": "jvasp-64532",
"created_at": "2022-09-04T14:38:07.068433Z",
"updated_at": "2022-09-04T14:38:07.068455Z",
"structure_string": "Ba4 Sb1 Cl1\n1.0\n0.000000 4.966721 4.966721\n4.966721 -0.000000 4.966721\n4.966721 4.966721 0.000000\nBa Sb Cl\n4 1 1\ndirect\n0.121895 0.626035 0.626035 Ba\n0.626035 0.626035 0.626035 Ba\n0.626035 0.121895 0.626035 Ba\n0.626035 0.626035 0.121895 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Cl"
],
"chemical_system": "Ba-Cl-Sb",
"density": 4.787787678569493,
"density_atomic": 0.024485668230076477,
"volume": 245.041301042788,
"volume_molar": 24.594553448220072,
"formula_full": "Ba4 Sb1 Cl1",
"formula_reduced": "Ba4SbCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.08827234125,
"spacegroup": 216
},
{
"id": "jvasp-66256",
"created_at": "2022-09-04T14:35:55.840285Z",
"updated_at": "2022-09-04T14:35:55.840307Z",
"structure_string": "Ba4 Sb1 Ir1\n1.0\n-0.000000 4.770982 4.770982\n4.770982 0.000000 4.770982\n4.770982 4.770982 -0.000000\nBa Sb Ir\n4 1 1\ndirect\n0.126092 0.624636 0.624636 Ba\n0.624636 0.624636 0.624636 Ba\n0.624636 0.126092 0.624636 Ba\n0.624636 0.624636 0.126092 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Ir"
],
"chemical_system": "Ba-Ir-Sb",
"density": 6.600091593317921,
"density_atomic": 0.027624722276598436,
"volume": 217.1967536876468,
"volume_molar": 21.7998237220343,
"formula_full": "Ba4 Sb1 Ir1",
"formula_reduced": "Ba4SbIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.05127018,
"spacegroup": 216
}
]
}