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=volume_molar&page=4352",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4350",
"results": [
{
"id": "jvasp-21889",
"created_at": "2022-09-04T14:37:40.533112Z",
"updated_at": "2022-09-04T14:37:40.533141Z",
"structure_string": "Sr6 Hg4\n1.0\n8.959639 -0.000000 -0.000000\n-0.000000 8.959639 -0.000000\n-0.000000 0.000000 4.450903\nSr Hg\n6 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.346619 0.846619 0.500000 Sr\n0.846619 0.653381 0.500000 Sr\n0.653381 0.153381 0.500000 Sr\n0.153381 0.346619 0.500000 Sr\n0.143299 0.643299 0.000000 Hg\n0.643299 0.856701 0.000000 Hg\n0.356701 0.143299 0.000000 Hg\n0.856701 0.356701 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 6.172259564713791,
"density_atomic": 0.02798793440064455,
"volume": 357.29682143923077,
"volume_molar": 21.516917518076337,
"formula_full": "Sr6 Hg4",
"formula_reduced": "Sr3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-120065",
"created_at": "2022-09-04T14:38:37.889870Z",
"updated_at": "2022-09-04T14:38:37.889896Z",
"structure_string": "Ca1 In1 Te1\n1.0\n3.401046 0.000000 -0.000000\n0.000000 3.401046 0.000000\n0.000000 -0.000000 9.267277\nCa In Te\n1 1 1\ndirect\n0.000000 0.000000 0.331733 Ca\n0.000000 0.000000 0.673981 In\n0.000000 0.000000 0.001111 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"In",
"Te"
],
"chemical_system": "Ca-In-Te",
"density": 4.376069835998527,
"density_atomic": 0.027986210640590013,
"volume": 107.19564854732164,
"volume_molar": 21.51824281371535,
"formula_full": "Ca1 In1 Te1",
"formula_reduced": "CaInTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1893766666666667,
"spacegroup": 99
},
{
"id": "jvasp-66585",
"created_at": "2022-09-04T14:36:06.975323Z",
"updated_at": "2022-09-04T14:36:06.975355Z",
"structure_string": "Ba4 Hf1 Mo1\n1.0\n0.000000 4.750432 4.750432\n4.750432 -0.000000 4.750432\n4.750432 4.750432 -0.000000\nBa Hf Mo\n4 1 1\ndirect\n0.124041 0.625320 0.625320 Ba\n0.625320 0.625320 0.625320 Ba\n0.625320 0.124041 0.625320 Ba\n0.625320 0.625320 0.124041 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Mo"
],
"chemical_system": "Ba-Hf-Mo",
"density": 6.379826753431381,
"density_atomic": 0.02798478259848747,
"volume": 214.40223731894525,
"volume_molar": 21.519340873226888,
"formula_full": "Ba4 Hf1 Mo1",
"formula_reduced": "Ba4HfMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.193860463333333,
"spacegroup": 216
},
{
"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-29222",
"created_at": "2022-09-04T14:38:35.160336Z",
"updated_at": "2022-09-04T14:38:35.160363Z",
"structure_string": "Bi6 Te6\n1.0\n4.484082 -0.000000 0.000000\n-2.242041 3.883329 -0.000000\n0.000000 0.000000 24.628122\nBi Te\n6 6\ndirect\n0.333333 0.666667 0.290888 Bi\n0.666667 0.333333 0.709112 Bi\n-0.000000 -0.000000 0.874087 Bi\n-0.000000 -0.000000 0.125913 Bi\n0.666667 0.333333 0.465845 Bi\n0.333333 0.666667 0.534155 Bi\n0.333333 0.666667 0.056484 Te\n0.666667 0.333333 0.943516 Te\n-0.000000 -0.000000 0.638750 Te\n-0.000000 -0.000000 0.361250 Te\n0.666667 0.333333 0.208976 Te\n0.333333 0.666667 0.791024 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Te"
],
"chemical_system": "Bi-Te",
"density": 7.819520847701743,
"density_atomic": 0.02798157898492474,
"volume": 428.8535685018018,
"volume_molar": 21.521804624551272,
"formula_full": "Bi6 Te6",
"formula_reduced": "BiTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5033460333333334,
"spacegroup": 164
},
{
"id": "jvasp-115572",
"created_at": "2022-09-04T14:38:47.545319Z",
"updated_at": "2022-09-04T14:38:47.545334Z",
"structure_string": "Ba1 Sn1 F1\n1.0\n3.652945 0.000000 0.000000\n0.000000 3.652945 -0.000000\n-0.000000 0.000000 8.037752\nBa Sn F\n1 1 1\ndirect\n0.000000 0.000000 0.414310 Ba\n0.000000 0.000000 -0.013332 Sn\n0.000000 0.000000 0.716468 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"F"
],
"chemical_system": "Ba-F-Sn",
"density": 4.258109538961782,
"density_atomic": 0.0279705100423103,
"volume": 107.25582034299603,
"volume_molar": 21.530321581159786,
"formula_full": "Ba1 Sn1 F1",
"formula_reduced": "BaSnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0390029449999999,
"spacegroup": 99
},
{
"id": "jvasp-59144",
"created_at": "2022-09-04T14:38:32.436114Z",
"updated_at": "2022-09-04T14:38:32.436133Z",
"structure_string": "Sr8 Bi12\n1.0\n6.653830 -0.000000 0.000000\n-0.000000 6.867713 0.000000\n0.000000 0.000000 15.648182\nSr Bi\n8 12\ndirect\n0.940099 0.000000 0.250000 Sr\n0.559901 0.500000 0.250000 Sr\n0.059901 0.000000 0.750000 Sr\n0.440099 0.500000 0.750000 Sr\n0.750000 0.750000 0.000133 Sr\n0.750000 0.250000 0.499867 Sr\n0.250000 0.250000 0.999867 Sr\n0.250000 0.750000 0.500133 Sr\n0.578900 0.936149 0.653512 Bi\n0.578900 0.063851 0.846487 Bi\n0.078900 0.563850 0.153513 Bi\n0.078900 0.436149 0.346487 Bi\n0.421100 0.063851 0.346487 Bi\n0.750000 0.250000 0.069546 Bi\n0.250000 0.750000 0.930454 Bi\n0.250000 0.250000 0.569546 Bi\n0.921100 0.563850 0.653512 Bi\n0.750000 0.750000 0.430454 Bi\n0.421100 0.936149 0.153513 Bi\n0.921100 0.436149 0.846487 Bi\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 7.4513307470498935,
"density_atomic": 0.027969343225419364,
"volume": 715.0686320665338,
"volume_molar": 21.531219776826582,
"formula_full": "Sr8 Bi12",
"formula_reduced": "Sr2Bi3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3909217199999999,
"spacegroup": 52
},
{
"id": "jvasp-18487",
"created_at": "2022-09-04T14:36:57.149150Z",
"updated_at": "2022-09-04T14:36:57.149175Z",
"structure_string": "Bi4 Te3\n1.0\n4.465191 0.007913 13.755545\n2.183262 3.895043 13.755545\n0.013480 0.007913 14.462114\nBi Te\n4 3\ndirect\n0.286168 0.286167 0.286168 Bi\n0.713833 0.713830 0.713833 Bi\n0.147082 0.147082 0.147082 Bi\n0.852919 0.852916 0.852919 Bi\n0.000000 0.000000 0.000000 Te\n0.579288 0.579286 0.579288 Te\n0.420713 0.420712 0.420713 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Bi",
"Te"
],
"chemical_system": "Bi-Te",
"density": 8.084988667429762,
"density_atomic": 0.027965581204571172,
"volume": 250.30768889780128,
"volume_molar": 21.534116226469266,
"formula_full": "Bi4 Te3",
"formula_reduced": "Bi4Te3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.008738642857143,
"spacegroup": 166
},
{
"id": "jvasp-117751",
"created_at": "2022-09-04T14:38:47.673078Z",
"updated_at": "2022-09-04T14:38:47.673102Z",
"structure_string": "Rb1 Bi1 Se2\n1.0\n4.383153 0.000000 -0.000000\n0.000000 4.383153 0.000000\n0.000000 0.000000 7.445351\nRb Bi Se\n1 1 2\ndirect\n0.500000 0.500000 0.541872 Rb\n0.000000 0.000000 0.059959 Bi\n0.000000 0.000000 0.404605 Se\n0.500000 0.500000 0.003564 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"Se"
],
"chemical_system": "Bi-Rb-Se",
"density": 5.251492232361914,
"density_atomic": 0.027964145520625965,
"volume": 143.04030842099772,
"volume_molar": 21.535221791626544,
"formula_full": "Rb1 Bi1 Se2",
"formula_reduced": "RbBiSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5166727583333333,
"spacegroup": 99
},
{
"id": "jvasp-102366",
"created_at": "2022-09-04T14:36:59.089120Z",
"updated_at": "2022-09-04T14:36:59.089146Z",
"structure_string": "K3 Pr1 Cl6\n1.0\n6.900229 -0.000000 3.983849\n2.300076 6.505599 3.983849\n-0.000000 -0.000000 7.967699\nK Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.757778 0.242222 0.242222 Cl\n0.242222 0.242222 0.757778 Cl\n0.242222 0.757778 0.757778 Cl\n0.242222 0.757778 0.242222 Cl\n0.757778 0.242222 0.757778 Cl\n0.757778 0.757778 0.242222 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Pr",
"Cl"
],
"chemical_system": "Cl-K-Pr",
"density": 2.186316471082788,
"density_atomic": 0.027958655742071594,
"volume": 357.670987198151,
"volume_molar": 21.539450306754233,
"formula_full": "K3 Pr1 Cl6",
"formula_reduced": "K3PrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40432",
"created_at": "2022-09-04T14:37:56.051441Z",
"updated_at": "2022-09-04T14:37:56.051459Z",
"structure_string": "K4 Ba2 Cd2 Sb4\n1.0\n5.064518 0.000000 0.000000\n0.000000 8.562783 0.000000\n0.000000 0.000000 9.898473\nK Ba Cd Sb\n4 2 2 4\ndirect\n0.500000 0.976763 0.423669 K\n0.000000 0.652276 0.337964 K\n0.500000 0.476763 0.576331 K\n0.000000 0.152276 0.662036 K\n0.000000 0.003940 0.050561 Ba\n0.000000 0.503940 0.949439 Ba\n0.500000 0.847059 0.820513 Cd\n0.500000 0.347059 0.179487 Cd\n0.000000 0.758617 0.675942 Sb\n0.500000 0.715743 0.114948 Sb\n0.000000 0.258617 0.324058 Sb\n0.500000 0.215743 0.885052 Sb\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-K-Sb",
"density": 4.421193940465942,
"density_atomic": 0.027955031506558193,
"volume": 429.260829027677,
"volume_molar": 21.542242792991377,
"formula_full": "K4 Ba2 Cd2 Sb4",
"formula_reduced": "K2BaCdSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 26
},
{
"id": "jvasp-114791",
"created_at": "2022-09-04T14:38:42.014859Z",
"updated_at": "2022-09-04T14:38:42.014875Z",
"structure_string": "Na1 Tl1 Cl1\n1.0\n3.594145 0.000000 -0.000000\n0.000000 3.594145 -0.000000\n-0.000000 -0.000000 8.307567\nNa Tl Cl\n1 1 1\ndirect\n0.000000 0.000000 0.553654 Na\n0.000000 0.000000 -0.063434 Tl\n0.000000 0.000000 0.255205 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Cl"
],
"chemical_system": "Cl-Na-Tl",
"density": 4.066797021735123,
"density_atomic": 0.027954788711933364,
"volume": 107.31613931746003,
"volume_molar": 21.542429892983822,
"formula_full": "Na1 Tl1 Cl1",
"formula_reduced": "NaTlCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.02895,
"spacegroup": 99
}
]
}