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=4434",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4432",
"results": [
{
"id": "jvasp-10104",
"created_at": "2022-09-04T14:37:51.550349Z",
"updated_at": "2022-09-04T14:37:51.550376Z",
"structure_string": "Ba2 Y1 Nb1 O6\n1.0\n5.223782 0.000000 3.015952\n1.741260 4.925029 3.015952\n0.000000 0.000000 6.031903\nBa Y Nb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Nb\n0.262596 0.737404 0.737403 O\n0.262596 0.737404 0.262595 O\n0.737404 0.262596 0.737403 O\n0.262596 0.262596 0.737404 O\n0.737404 0.262596 0.262596 O\n0.737404 0.737404 0.262595 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O-Y",
"density": 5.911583365195546,
"density_atomic": 0.06443944842384144,
"volume": 155.18444438298727,
"volume_molar": 9.345425678367407,
"formula_full": "Ba2 Y1 Nb1 O6",
"formula_reduced": "Ba2YNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3486227789999994,
"spacegroup": 225
},
{
"id": "jvasp-65738",
"created_at": "2022-09-04T14:36:10.752427Z",
"updated_at": "2022-09-04T14:36:10.752438Z",
"structure_string": "Ba2 Y1 Nb1\n1.0\n0.000000 4.149991 4.149991\n4.149991 0.000000 4.149991\n4.149991 4.149991 0.000000\nBa Y Nb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Nb"
],
"chemical_system": "Ba-Nb-Y",
"density": 5.302568536578856,
"density_atomic": 0.027982630064756712,
"volume": 142.9458199870169,
"volume_molar": 21.520996225385932,
"formula_full": "Ba2 Y1 Nb1",
"formula_reduced": "Ba2YNb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1876866974999998,
"spacegroup": 225
},
{
"id": "jvasp-9200",
"created_at": "2022-09-04T14:38:33.891135Z",
"updated_at": "2022-09-04T14:38:33.891159Z",
"structure_string": "Ba2 Y1 Mo3 O8\n1.0\n4.057964 0.000000 0.000000\n0.000000 4.057995 0.000000\n0.000000 0.000000 11.692526\nBa Y Mo O\n2 1 3 8\ndirect\n0.500000 0.499999 0.182164 Ba\n0.500000 0.499999 0.817835 Ba\n0.500000 0.499999 0.500001 Y\n0.000000 0.000000 0.402135 Mo\n0.000000 0.000000 -0.000002 Mo\n0.000000 0.000000 0.597869 Mo\n0.000000 0.499999 0.373842 O\n0.500000 0.000000 0.373842 O\n0.500000 0.000000 -0.000002 O\n0.000000 0.000000 0.165830 O\n0.000000 0.499999 0.626162 O\n0.500000 0.000000 0.626161 O\n0.000000 0.000000 0.834167 O\n0.000000 0.499999 -0.000002 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Y",
"density": 6.721520915411459,
"density_atomic": 0.07271097929428488,
"volume": 192.54313634447786,
"volume_molar": 8.282299067416554,
"formula_full": "Ba2 Y1 Mo3 O8",
"formula_reduced": "Ba2YMo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.317645935,
"spacegroup": 123
},
{
"id": "jvasp-9183",
"created_at": "2022-09-04T14:38:12.950375Z",
"updated_at": "2022-09-04T14:38:12.950399Z",
"structure_string": "Ba2 Y1 Mn3 O8\n1.0\n3.901557 0.000000 -0.000000\n-0.000000 3.901557 -0.000000\n0.000000 0.000000 11.631200\nBa Y Mn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.832503 Ba\n0.500000 0.500000 0.167491 Ba\n0.500000 0.500000 0.500002 Y\n0.000000 0.000000 0.657235 Mn\n0.000000 0.000000 -0.000003 Mn\n0.000000 0.000000 0.342765 Mn\n0.500000 0.000000 0.621471 O\n0.000000 0.500000 0.621471 O\n0.000000 0.500000 -0.000003 O\n0.000000 0.000000 0.826274 O\n0.500000 0.000000 0.378534 O\n0.000000 0.500000 0.378534 O\n0.000000 0.000000 0.173725 O\n0.500000 0.000000 -0.000003 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 6.155974970636097,
"density_atomic": 0.07907288780082859,
"volume": 177.05183646844495,
"volume_molar": 7.6159362930676915,
"formula_full": "Ba2 Y1 Mn3 O8",
"formula_reduced": "Ba2YMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.8594983652955657,
"spacegroup": 123
},
{
"id": "jvasp-9208",
"created_at": "2022-09-04T14:37:28.844719Z",
"updated_at": "2022-09-04T14:37:28.844744Z",
"structure_string": "Ba2 Y1 Mn3 O7\n1.0\n3.915834 0.000000 0.000000\n-0.000000 3.953455 0.000000\n0.000000 0.000000 11.582846\nBa Y Mn O\n2 1 3 7\ndirect\n0.500000 0.500001 0.823335 Ba\n0.500000 0.500001 0.176666 Ba\n0.500000 0.500001 0.500000 Y\n0.000000 0.000000 0.650837 Mn\n0.000000 0.000000 0.349164 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.000000 O\n0.500000 0.000000 0.623476 O\n0.500000 0.000000 0.376524 O\n0.000000 0.500001 0.623316 O\n0.000000 0.500001 0.376684 O\n0.000000 0.000000 0.832354 O\n0.000000 0.000000 0.167647 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 5.930121269046747,
"density_atomic": 0.07249816217349145,
"volume": 179.314890340122,
"volume_molar": 8.306611615324453,
"formula_full": "Ba2 Y1 Mn3 O7",
"formula_reduced": "Ba2YMn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.832517201087533,
"spacegroup": 47
},
{
"id": "jvasp-119524",
"created_at": "2022-09-04T14:38:51.049017Z",
"updated_at": "2022-09-04T14:38:51.049041Z",
"structure_string": "Ba4 Y2 Mn6 O14\n1.0\n5.549571 0.000135 -0.095787\n2.843000 11.535273 2.726322\n0.136759 0.000131 5.548713\nBa Y Mn O\n4 2 6 14\ndirect\n0.587461 0.825078 0.087465 Ba\n0.087464 0.825078 0.587462 Ba\n0.912539 0.174914 0.412542 Ba\n0.412544 0.174914 0.912538 Ba\n0.749999 0.499998 0.250001 Y\n0.250003 0.499998 0.749998 Y\n0.325522 0.348941 0.325520 Mn\n0.674481 0.651051 0.674481 Mn\n0.173049 0.653907 0.173050 Mn\n0.826945 0.346105 0.826942 Mn\n0.500001 -0.000002 0.500001 Mn\n0.000001 -0.000001 0.000002 Mn\n0.584030 0.831958 0.584031 O\n0.083019 0.833954 0.083021 O\n0.061846 0.377050 0.561086 O\n0.561089 0.377050 0.061844 O\n0.438911 0.622957 0.938145 O\n0.938145 0.622957 0.438912 O\n0.750133 -0.000004 0.249873 O\n0.561562 0.375754 0.561560 O\n0.438431 0.624256 0.438431 O\n0.937326 0.624256 0.937326 O\n0.249872 -0.000005 0.750134 O\n0.916984 0.166045 0.916982 O\n0.062670 0.375755 0.062667 O\n0.415973 0.168032 0.415972 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 5.984814111629465,
"density_atomic": 0.07316680458254095,
"volume": 355.35240534754905,
"volume_molar": 8.230700786182759,
"formula_full": "Ba4 Y2 Mn6 O14",
"formula_reduced": "Ba2YMn3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.831284893395225,
"spacegroup": 47
},
{
"id": "jvasp-69374",
"created_at": "2022-09-04T14:36:04.816626Z",
"updated_at": "2022-09-04T14:36:04.816651Z",
"structure_string": "Ba2 Y1 Mn1\n1.0\n0.000000 4.225103 4.225103\n4.225103 0.000000 4.225103\n4.225103 4.225103 -0.000000\nBa Y Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mn"
],
"chemical_system": "Ba-Mn-Y",
"density": 4.606811874562722,
"density_atomic": 0.026516615643233776,
"volume": 150.84881320519034,
"volume_molar": 22.710819665015077,
"formula_full": "Ba2 Y1 Mn1",
"formula_reduced": "Ba2YMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.818753657844828,
"spacegroup": 225
},
{
"id": "jvasp-116924",
"created_at": "2022-09-04T14:38:46.317135Z",
"updated_at": "2022-09-04T14:38:46.317164Z",
"structure_string": "Ba4 Y2 In2 Te10\n1.0\n10.427337 -0.091940 0.000000\n-9.385796 4.543637 0.000000\n-0.000000 -0.000000 14.251698\nBa Y In Te\n4 2 2 10\ndirect\n0.131264 0.868737 0.815910 Ba\n0.868736 0.131264 0.315910 Ba\n0.119400 0.880601 0.182881 Ba\n0.880601 0.119399 0.682881 Ba\n0.208986 0.791015 0.517575 Y\n0.791015 0.208986 0.017575 Y\n0.445489 0.554511 0.934663 In\n0.554511 0.445489 0.434663 In\n0.494931 0.505069 0.260175 Te\n0.505069 0.494931 0.760175 Te\n0.690211 0.309790 0.364750 Te\n0.309790 0.690211 0.864750 Te\n0.356125 0.643875 0.501479 Te\n0.292050 0.707951 0.160773 Te\n0.643875 0.356125 0.001479 Te\n0.049415 0.950586 0.554316 Te\n0.707950 0.292050 0.660773 Te\n0.950585 0.049415 0.054316 Te\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Y",
"In",
"Te"
],
"chemical_system": "Ba-In-Te-Y",
"density": 5.592805238570947,
"density_atomic": 0.027152629695600866,
"volume": 662.9192163629098,
"volume_molar": 22.178849074701873,
"formula_full": "Ba4 Y2 In2 Te10",
"formula_reduced": "Ba2YInTe5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.6988773548148148,
"spacegroup": 36
},
{
"id": "jvasp-65629",
"created_at": "2022-09-04T14:36:15.462907Z",
"updated_at": "2022-09-04T14:36:15.462921Z",
"structure_string": "Ba2 Y1 Hf1\n1.0\n-0.000000 4.186848 4.186848\n4.186848 -0.000000 4.186848\n4.186848 4.186848 -0.000000\nBa Y Hf\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Hf"
],
"chemical_system": "Ba-Hf-Y",
"density": 6.131923766043321,
"density_atomic": 0.02725011956849613,
"volume": 146.7883467426837,
"volume_molar": 22.099502150303216,
"formula_full": "Ba2 Y1 Hf1",
"formula_reduced": "Ba2YHf",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1393750975000003,
"spacegroup": 225
},
{
"id": "jvasp-64704",
"created_at": "2022-09-04T14:36:12.400856Z",
"updated_at": "2022-09-04T14:36:12.400875Z",
"structure_string": "Ba2 Y1 Ga1\n1.0\n-0.000000 4.190691 4.190691\n4.190691 -0.000000 4.190691\n4.190691 4.190691 -0.000000\nBa Y Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Ga"
],
"chemical_system": "Ba-Ga-Y",
"density": 4.888027977621808,
"density_atomic": 0.027175220556483363,
"volume": 147.19291759513226,
"volume_molar": 22.16041171582418,
"formula_full": "Ba2 Y1 Ga1",
"formula_reduced": "Ba2YGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.51646492875,
"spacegroup": 225
},
{
"id": "jvasp-57319",
"created_at": "2022-09-04T14:36:51.162990Z",
"updated_at": "2022-09-04T14:36:51.163017Z",
"structure_string": "Ba2 Y1 Fe3 O8\n1.0\n3.916783 0.000000 0.000000\n0.000000 3.916783 -0.000000\n0.000000 -0.000000 11.749085\nBa Y Fe O\n2 1 3 8\ndirect\n0.500000 0.500000 0.168965 Ba\n0.500000 0.500000 0.831035 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.344266 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.655735 Fe\n0.000000 0.500000 0.380503 O\n0.500000 0.000000 0.380503 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.184995 O\n0.000000 0.500000 0.619497 O\n0.500000 0.000000 0.619497 O\n0.000000 0.000000 0.815005 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Y",
"density": 6.0719863236913705,
"density_atomic": 0.07767208575729716,
"volume": 180.24493437379752,
"volume_molar": 7.753288329114079,
"formula_full": "Ba2 Y1 Fe3 O8",
"formula_reduced": "Ba2YFe3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6568158492857137,
"spacegroup": 123
},
{
"id": "jvasp-50818",
"created_at": "2022-09-04T14:35:56.138565Z",
"updated_at": "2022-09-04T14:35:56.138587Z",
"structure_string": "Ba4 Y2 F14\n1.0\n6.873505 3.386312 -0.038424\n-6.873505 3.386312 0.038424\n-4.723861 0.000000 6.648100\nBa Y F\n4 2 14\ndirect\n0.315357 0.671537 0.744208 Ba\n0.328462 0.684642 0.244208 Ba\n0.671537 0.315357 0.755792 Ba\n0.684642 0.328462 0.255792 Ba\n0.986179 0.986179 0.750000 Y\n0.013820 0.013820 0.250000 Y\n0.943104 0.779317 0.074252 F\n0.884322 0.632611 0.455172 F\n0.365014 0.365014 0.250000 F\n0.220682 0.056895 0.574252 F\n0.632611 0.884322 0.044828 F\n0.367389 0.115678 0.955172 F\n0.115678 0.367388 0.544828 F\n0.634986 0.634986 0.750000 F\n0.696983 0.069587 0.637928 F\n0.056895 0.220682 0.925748 F\n0.303017 0.930413 0.362072 F\n0.069587 0.696983 0.862072 F\n0.779317 0.943104 0.425748 F\n0.930413 0.303017 0.137928 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Y",
"F"
],
"chemical_system": "Ba-F-Y",
"density": 5.349789175062239,
"density_atomic": 0.0648822265579028,
"volume": 308.25082709132084,
"volume_molar": 9.281649350651778,
"formula_full": "Ba4 Y2 F14",
"formula_reduced": "Ba2YF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 15
}
]
}