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=455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=453",
"results": [
{
"id": "jvasp-65356",
"created_at": "2022-09-04T14:35:52.510531Z",
"updated_at": "2022-09-04T14:35:52.510561Z",
"structure_string": "Ba1 Te1 Ir2\n1.0\n3.371436 0.000000 0.000000\n-0.000000 3.372066 0.000000\n0.000000 0.000000 7.950002\nBa Te Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ba\n0.500001 0.500001 0.000000 Te\n0.000000 0.000000 0.805401 Ir\n0.000000 0.000000 0.194598 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Ir"
],
"chemical_system": "Ba-Ir-Te",
"density": 11.930456872674249,
"density_atomic": 0.04425697917995226,
"volume": 90.3812251562786,
"volume_molar": 13.60721149880907,
"formula_full": "Ba1 Te1 Ir2",
"formula_reduced": "BaTeIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5532814841666664,
"spacegroup": 123
},
{
"id": "jvasp-98995",
"created_at": "2022-09-04T14:36:05.930399Z",
"updated_at": "2022-09-04T14:36:05.930433Z",
"structure_string": "Ba2 Te2 Mo4 O18\n1.0\n5.541778 0.000000 -0.075016\n0.000000 7.525526 0.000000\n0.018482 0.000000 8.882739\nBa Te Mo O\n2 2 4 18\ndirect\n0.272148 0.747431 0.066626 Ba\n0.727852 0.247431 0.933374 Ba\n0.628462 0.510091 0.420249 Te\n0.371537 0.010090 0.579751 Te\n0.223942 0.272919 0.229590 Mo\n0.776058 0.772919 0.770409 Mo\n0.784625 0.951598 0.325575 Mo\n0.215375 0.451598 0.674425 Mo\n0.980328 0.935554 0.832176 O\n0.019671 0.435554 0.167823 O\n0.489639 0.890061 0.805326 O\n0.510361 0.390061 0.194673 O\n0.444020 0.089835 0.369580 O\n0.286986 0.466440 0.867641 O\n0.541309 0.729000 0.329393 O\n0.705042 0.929816 0.557986 O\n0.294957 0.429816 0.442014 O\n0.220260 0.121643 0.079651 O\n0.779740 0.621643 0.920349 O\n0.963858 0.156956 0.356269 O\n0.036142 0.656957 0.643731 O\n0.019514 0.798700 0.333789 O\n0.980486 0.298700 0.666210 O\n0.713014 0.966441 0.132358 O\n0.458691 0.229000 0.670607 O\n0.555980 0.589835 0.630419 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Te",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Te",
"density": 5.385983960914086,
"density_atomic": 0.07018240234615988,
"volume": 370.46323766120867,
"volume_molar": 8.580699090773583,
"formula_full": "Ba2 Te2 Mo4 O18",
"formula_reduced": "BaTeMo2O9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 3.077319002820513,
"spacegroup": 4
},
{
"id": "jvasp-9716",
"created_at": "2022-09-04T14:37:10.193102Z",
"updated_at": "2022-09-04T14:37:10.193119Z",
"structure_string": "Ba2 Te2 O6\n1.0\n0.000000 4.630108 -0.024279\n6.000344 0.000000 0.000000\n0.000000 -2.060673 -6.830087\nBa Te O\n2 2 6\ndirect\n0.337789 0.250000 0.686957 Ba\n0.662212 0.750000 0.313044 Ba\n0.070271 0.250000 0.145663 Te\n0.929730 0.750000 0.854338 Te\n0.824196 0.511904 0.673400 O\n0.175805 0.011905 0.326600 O\n0.175805 0.488095 0.326600 O\n0.824196 0.988095 0.673400 O\n0.353562 0.750000 0.892361 O\n0.646439 0.250000 0.107640 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Te",
"O"
],
"chemical_system": "Ba-O-Te",
"density": 5.468139545236043,
"density_atomic": 0.05261625789184397,
"volume": 190.05532511558744,
"volume_molar": 11.445399200336308,
"formula_full": "Ba2 Te2 O6",
"formula_reduced": "BaTeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.265218847333333,
"spacegroup": 11
},
{
"id": "jvasp-12740",
"created_at": "2022-09-04T14:36:35.482587Z",
"updated_at": "2022-09-04T14:36:35.482613Z",
"structure_string": "Ba2 Te4 O12\n1.0\n5.655798 -0.000000 0.000000\n-2.827898 6.437671 -0.000000\n0.000000 -0.000000 7.451861\nBa Te O\n2 4 12\ndirect\n0.719379 0.438757 0.250000 Ba\n0.280621 0.561243 0.750000 Ba\n0.585890 0.171779 0.750000 Te\n0.414110 0.828220 0.250000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.655975 0.786129 0.455887 O\n0.869846 0.213871 0.544113 O\n0.270483 0.540967 0.250000 O\n0.655975 0.786129 0.044113 O\n0.951691 0.903382 0.750000 O\n0.130154 0.786129 0.044113 O\n0.344025 0.213871 0.955887 O\n0.130154 0.786129 0.455887 O\n0.344025 0.213871 0.544113 O\n0.869846 0.213871 0.955887 O\n0.048309 0.096617 0.250000 O\n0.729517 0.459033 0.750000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Te",
"O"
],
"chemical_system": "Ba-O-Te",
"density": 5.9796677064423625,
"density_atomic": 0.06634147018300458,
"volume": 271.32350173046444,
"volume_molar": 9.077490660649781,
"formula_full": "Ba2 Te4 O12",
"formula_reduced": "Ba(TeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9237447225925923,
"spacegroup": 63
},
{
"id": "jvasp-49984",
"created_at": "2022-09-04T14:38:34.936711Z",
"updated_at": "2022-09-04T14:38:34.936739Z",
"structure_string": "Ba4 Te4 O16\n1.0\n5.123634 -0.000000 0.000000\n-0.000000 5.997795 0.000000\n0.000000 0.000000 13.766902\nBa Te O\n4 4 16\ndirect\n0.250000 0.000000 0.162764 Ba\n0.749999 0.000000 0.837236 Ba\n0.250000 0.500000 0.662764 Ba\n0.749999 0.500000 0.337236 Ba\n0.250000 0.000000 0.431967 Te\n0.749999 0.000000 0.568033 Te\n0.749999 0.500000 0.068033 Te\n0.250000 0.500000 0.931967 Te\n0.072851 0.823043 0.540236 O\n0.572851 0.823043 0.459764 O\n0.572851 0.676956 0.959764 O\n0.072851 0.676956 0.040236 O\n0.147793 0.710118 0.838221 O\n0.647792 0.710118 0.161778 O\n0.352207 0.289881 0.838221 O\n0.427148 0.176956 0.540236 O\n0.927148 0.323043 0.959764 O\n0.427148 0.323043 0.040236 O\n0.147793 0.789881 0.338222 O\n0.927148 0.176956 0.459764 O\n0.852207 0.210119 0.661778 O\n0.352207 0.210119 0.338222 O\n0.852207 0.289881 0.161778 O\n0.647792 0.789881 0.661778 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Te",
"O"
],
"chemical_system": "Ba-O-Te",
"density": 5.1641578229930065,
"density_atomic": 0.056729022993718875,
"volume": 423.0638698406161,
"volume_molar": 10.615625727710455,
"formula_full": "Ba4 Te4 O16",
"formula_reduced": "BaTeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.590481289444445,
"spacegroup": 60
},
{
"id": "jvasp-66651",
"created_at": "2022-09-04T14:36:05.017754Z",
"updated_at": "2022-09-04T14:36:05.017789Z",
"structure_string": "Ba1 Te1 Pb1\n1.0\n-0.000000 4.019943 4.019943\n4.019943 -0.000000 4.019943\n4.019943 4.019943 -0.000000\nBa Te Pb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Pb"
],
"chemical_system": "Ba-Pb-Te",
"density": 6.034179901463016,
"density_atomic": 0.023090406236244327,
"volume": 129.92408922156548,
"volume_molar": 26.08070511356887,
"formula_full": "Ba1 Te1 Pb1",
"formula_reduced": "BaTePb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1308548522222222,
"spacegroup": 216
},
{
"id": "jvasp-115607",
"created_at": "2022-09-04T14:38:45.503820Z",
"updated_at": "2022-09-04T14:38:45.503836Z",
"structure_string": "Ba1 Te1 Pd1\n1.0\n0.000000 3.592167 3.592167\n3.592167 0.000000 3.592167\n3.592167 3.592167 0.000000\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Pd"
],
"chemical_system": "Ba-Pd-Te",
"density": 6.65165116120804,
"density_atomic": 0.032360982794842966,
"volume": 92.70423024600103,
"volume_molar": 18.60926411962892,
"formula_full": "Ba1 Te1 Pd1",
"formula_reduced": "BaTePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3411564788888888,
"spacegroup": 216
},
{
"id": "jvasp-115606",
"created_at": "2022-09-04T14:38:47.367649Z",
"updated_at": "2022-09-04T14:38:47.367674Z",
"structure_string": "Ba1 Te1 Pd1\n1.0\n3.351107 -0.000000 0.000000\n-0.000000 3.351107 -0.000000\n0.000000 -0.000000 8.804653\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.373534 Ba\n0.000000 0.000000 -0.011010 Te\n0.000000 0.000000 0.687924 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Pd"
],
"chemical_system": "Ba-Pd-Te",
"density": 6.2364893147958815,
"density_atomic": 0.030341176728167173,
"volume": 98.8755323129889,
"volume_molar": 19.848079110291582,
"formula_full": "Ba1 Te1 Pd1",
"formula_reduced": "BaTePd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7919431455555554,
"spacegroup": 99
},
{
"id": "jvasp-69332",
"created_at": "2022-09-04T14:36:04.865660Z",
"updated_at": "2022-09-04T14:36:04.865681Z",
"structure_string": "Ba1 Te1 Pd2\n1.0\n4.827441 0.000000 0.000000\n0.000000 4.827441 -0.000000\n0.000000 -0.000000 4.222185\nBa Te Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 Te\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Pd"
],
"chemical_system": "Ba-Pd-Te",
"density": 8.062951340397573,
"density_atomic": 0.04065264275656112,
"volume": 98.39458713552936,
"volume_molar": 14.813651343806077,
"formula_full": "Ba1 Te1 Pd2",
"formula_reduced": "BaTePd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8831837841666668,
"spacegroup": 123
},
{
"id": "jvasp-66068",
"created_at": "2022-09-04T14:36:02.936251Z",
"updated_at": "2022-09-04T14:36:02.936276Z",
"structure_string": "Ba1 Te1 Se1\n1.0\n-0.000000 3.921587 3.921587\n3.921587 0.000000 3.921587\n3.921587 3.921587 -0.000000\nBa Te Se\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Se"
],
"chemical_system": "Ba-Se-Te",
"density": 4.734229393966047,
"density_atomic": 0.02487171292643707,
"volume": 120.61895410553683,
"volume_molar": 24.212810664917424,
"formula_full": "Ba1 Te1 Se1",
"formula_reduced": "BaTeSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3282857011111111,
"spacegroup": 216
},
{
"id": "jvasp-37936",
"created_at": "2022-09-04T14:37:57.469657Z",
"updated_at": "2022-09-04T14:37:57.469675Z",
"structure_string": "Ba1 Th3\n1.0\n-2.622624 2.622624 5.191578\n2.622624 -2.622624 5.191578\n2.622624 2.622624 -5.191578\nBa Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.500000 Th\n0.749999 0.250000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Th"
],
"chemical_system": "Ba-Th",
"density": 9.689304743775372,
"density_atomic": 0.028004547149309642,
"volume": 142.83394688275138,
"volume_molar": 21.504153335857303,
"formula_full": "Ba1 Th3",
"formula_reduced": "BaTh3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5529706925,
"spacegroup": 139
},
{
"id": "jvasp-56556",
"created_at": "2022-09-04T14:38:31.708720Z",
"updated_at": "2022-09-04T14:38:31.708756Z",
"structure_string": "Ba2 Th2 Br12\n1.0\n4.570330 0.000000 0.000000\n0.000000 9.486416 0.000000\n0.000000 -0.000000 11.601913\nBa Th Br\n2 2 12\ndirect\n0.500000 0.250000 0.252193 Ba\n0.500000 0.750000 0.747807 Ba\n0.000000 0.250000 0.731589 Th\n0.000000 0.750000 0.268411 Th\n0.000000 0.535571 0.849846 Br\n0.000000 0.250000 0.459968 Br\n0.500000 0.750000 0.089483 Br\n0.500000 0.250000 0.910516 Br\n0.000000 0.750000 0.540032 Br\n0.500000 0.927956 0.362371 Br\n0.000000 0.964430 0.849846 Br\n0.000000 0.464430 0.150154 Br\n0.500000 0.072044 0.637629 Br\n0.500000 0.427956 0.637629 Br\n0.000000 0.035571 0.150154 Br\n0.500000 0.572044 0.362371 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Th",
"Br"
],
"chemical_system": "Ba-Br-Th",
"density": 5.604018200799351,
"density_atomic": 0.0318083142480449,
"volume": 503.0131391192302,
"volume_molar": 18.932599549409165,
"formula_full": "Ba2 Th2 Br12",
"formula_reduced": "BaThBr6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.135684525,
"spacegroup": 51
}
]
}