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_full&page=4194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=4192",
"results": [
{
"id": "jvasp-57727",
"created_at": "2022-09-04T14:38:09.003043Z",
"updated_at": "2022-09-04T14:38:09.003067Z",
"structure_string": "Ba4 Ru4 O12\n1.0\n2.887620 -5.001505 0.000000\n2.887620 5.001505 0.000000\n0.000000 -0.000000 9.552769\nBa Ru O\n4 4 12\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.616541 Ru\n0.333333 0.666667 0.116541 Ru\n0.333333 0.666667 0.383459 Ru\n0.666667 0.333333 0.883459 Ru\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.355061 0.177530 0.750000 O\n0.822470 0.177530 0.750000 O\n0.177530 0.355061 0.250000 O\n0.822470 0.644939 0.750000 O\n0.500000 0.500000 0.500000 O\n0.644939 0.822470 0.250000 O\n0.177530 0.822470 0.250000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.894055948649967,
"density_atomic": 0.07248196782703203,
"volume": 275.9306983459275,
"volume_molar": 8.308467527221373,
"formula_full": "Ba4 Ru4 O12",
"formula_reduced": "BaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.040179394,
"spacegroup": 194
},
{
"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-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-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-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-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-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-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-58371",
"created_at": "2022-09-04T14:37:04.776002Z",
"updated_at": "2022-09-04T14:37:04.776027Z",
"structure_string": "Ba4 Rh4 O12\n1.0\n2.890845 -5.007090 0.000000\n2.890845 5.007090 0.000000\n0.000000 -0.000000 9.707941\nBa Rh O\n4 4 12\ndirect\n0.333332 0.666666 0.250000 Ba\n0.666666 0.333332 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.113761 Rh\n0.333332 0.666666 0.613761 Rh\n0.333332 0.666666 0.886239 Rh\n0.666666 0.333332 0.386239 Rh\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.181874 0.363750 0.750000 O\n0.636248 0.818124 0.750000 O\n0.818124 0.181874 0.250000 O\n0.181874 0.818124 0.750000 O\n0.499999 0.499999 0.500000 O\n0.818124 0.636248 0.250000 O\n0.363750 0.181874 0.250000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"O"
],
"chemical_system": "Ba-O-Rh",
"density": 6.81211541077496,
"density_atomic": 0.07116437959459017,
"volume": 281.03947668673806,
"volume_molar": 8.462296438621374,
"formula_full": "Ba4 Rh4 O12",
"formula_reduced": "BaRhO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.736275894,
"spacegroup": 194
},
{
"id": "jvasp-66192",
"created_at": "2022-09-04T14:36:20.080610Z",
"updated_at": "2022-09-04T14:36:20.080635Z",
"structure_string": "Ba4 Rh1 W1\n1.0\n-0.000000 4.723983 4.723983\n4.723983 0.000000 4.723983\n4.723983 4.723983 -0.000000\nBa Rh W\n4 1 1\ndirect\n0.125649 0.624783 0.624783 Ba\n0.624783 0.624783 0.624783 Ba\n0.624783 0.125649 0.624783 Ba\n0.624783 0.624783 0.125649 Ba\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"W"
],
"chemical_system": "Ba-Rh-W",
"density": 6.5845817341816355,
"density_atomic": 0.028457469333723288,
"volume": 210.84095460623934,
"volume_molar": 21.16189844352573,
"formula_full": "Ba4 Rh1 W1",
"formula_reduced": "Ba4RhW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.06308448,
"spacegroup": 216
},
{
"id": "jvasp-66658",
"created_at": "2022-09-04T14:36:12.411398Z",
"updated_at": "2022-09-04T14:36:12.411418Z",
"structure_string": "Ba4 Rh1 Se1\n1.0\n-0.000000 4.776169 4.776169\n4.776169 -0.000000 4.776169\n4.776169 4.776169 0.000000\nBa Rh Se\n4 1 1\ndirect\n0.125483 0.624839 0.624839 Ba\n0.624839 0.624839 0.624839 Ba\n0.624839 0.125483 0.624839 Ba\n0.624839 0.624839 0.125483 Ba\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Se"
],
"chemical_system": "Ba-Rh-Se",
"density": 5.571863752935077,
"density_atomic": 0.027534817244316955,
"volume": 217.9059314889177,
"volume_molar": 21.87100319775298,
"formula_full": "Ba4 Rh1 Se1",
"formula_reduced": "Ba4RhSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6688967077777778,
"spacegroup": 216
},
{
"id": "jvasp-66344",
"created_at": "2022-09-04T14:36:05.114981Z",
"updated_at": "2022-09-04T14:36:05.115010Z",
"structure_string": "Ba4 Rh1 Pb1\n1.0\n-0.000000 4.846043 4.846043\n4.846043 0.000000 4.846043\n4.846043 4.846043 -0.000000\nBa Rh Pb\n4 1 1\ndirect\n0.124204 0.625265 0.625265 Ba\n0.625265 0.625265 0.625265 Ba\n0.625265 0.124204 0.625265 Ba\n0.625265 0.625265 0.124204 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Pb"
],
"chemical_system": "Ba-Pb-Rh",
"density": 6.26988366911009,
"density_atomic": 0.026360853314909272,
"volume": 227.61023432448968,
"volume_molar": 22.845014491977675,
"formula_full": "Ba4 Rh1 Pb1",
"formula_reduced": "Ba4RhPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4876096166666666,
"spacegroup": 216
}
]
}