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=chemical_system&page=693",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=691",
"results": [
{
"id": "jvasp-63972",
"created_at": "2022-09-04T14:35:59.271563Z",
"updated_at": "2022-09-04T14:35:59.271586Z",
"structure_string": "Ba4 Bi1 Sb1\n1.0\n-0.000000 4.958370 4.958370\n4.958370 0.000000 4.958370\n4.958370 4.958370 -0.000000\nBa Bi Sb\n4 1 1\ndirect\n0.124539 0.625154 0.625154 Ba\n0.625154 0.625154 0.625154 Ba\n0.625154 0.124539 0.625154 Ba\n0.625154 0.625154 0.124539 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 5.993891341696314,
"density_atomic": 0.024609594680688802,
"volume": 243.80734741268256,
"volume_molar": 24.47070274068994,
"formula_full": "Ba4 Bi1 Sb1",
"formula_reduced": "Ba4BiSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2597457133333333,
"spacegroup": 216
},
{
"id": "jvasp-36485",
"created_at": "2022-09-04T14:37:34.604047Z",
"updated_at": "2022-09-04T14:37:34.604064Z",
"structure_string": "Ba3 Bi1 Sb1\n1.0\n6.475914 -0.000000 -0.000000\n0.000000 6.475914 -0.000000\n-0.000000 0.000000 6.475914\nBa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 4.541212418076805,
"density_atomic": 0.01841055099002756,
"volume": 271.5833981670809,
"volume_molar": 32.710269036825736,
"formula_full": "Ba3 Bi1 Sb1",
"formula_reduced": "Ba3BiSb",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.249239662,
"spacegroup": 221
},
{
"id": "jvasp-69126",
"created_at": "2022-09-04T14:35:57.827674Z",
"updated_at": "2022-09-04T14:35:57.827698Z",
"structure_string": "Ba2 Sc1 Bi1\n1.0\n0.000000 4.271555 4.271555\n4.271555 0.000000 4.271555\n4.271555 4.271555 -0.000000\nBa Sc Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Sc\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Bi"
],
"chemical_system": "Ba-Bi-Sc",
"density": 5.6309321321236805,
"density_atomic": 0.025660906113144488,
"volume": 155.87914091432057,
"volume_molar": 23.46815320334784,
"formula_full": "Ba2 Sc1 Bi1",
"formula_reduced": "Ba2ScBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7180778724999999,
"spacegroup": 225
},
{
"id": "jvasp-64796",
"created_at": "2022-09-04T14:38:17.008561Z",
"updated_at": "2022-09-04T14:38:17.008586Z",
"structure_string": "Ba4 Sc1 Bi1\n1.0\n-0.000000 5.082739 5.082739\n5.082739 -0.000000 5.082739\n5.082739 5.082739 0.000000\nBa Sc Bi\n4 1 1\ndirect\n0.127334 0.624222 0.624222 Ba\n0.624222 0.624222 0.624222 Ba\n0.624222 0.127334 0.624222 Ba\n0.624222 0.624222 0.127334 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Bi"
],
"chemical_system": "Ba-Bi-Sc",
"density": 5.0789429345860855,
"density_atomic": 0.022846928749609214,
"volume": 262.6173550833447,
"volume_molar": 26.358644638846723,
"formula_full": "Ba4 Sc1 Bi1",
"formula_reduced": "Ba4ScBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5183889049999998,
"spacegroup": 216
},
{
"id": "jvasp-63920",
"created_at": "2022-09-04T14:38:08.762091Z",
"updated_at": "2022-09-04T14:38:08.762110Z",
"structure_string": "Ba4 Bi1 Se1\n1.0\n0.000000 4.917476 4.917476\n4.917476 0.000000 4.917476\n4.917476 4.917476 0.000000\nBa Bi Se\n4 1 1\ndirect\n0.125142 0.624953 0.624953 Ba\n0.624953 0.624953 0.624953 Ba\n0.624953 0.125142 0.624953 Ba\n0.624953 0.624953 0.125142 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Se"
],
"chemical_system": "Ba-Bi-Se",
"density": 5.845836722049168,
"density_atomic": 0.025228678809531075,
"volume": 237.8245823056448,
"volume_molar": 23.870218513879973,
"formula_full": "Ba4 Bi1 Se1",
"formula_reduced": "Ba4BiSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2034669244444443,
"spacegroup": 216
},
{
"id": "jvasp-66394",
"created_at": "2022-09-04T14:36:16.845893Z",
"updated_at": "2022-09-04T14:36:16.845916Z",
"structure_string": "Ba1 Bi1 Se1\n1.0\n-0.000000 3.926502 3.926502\n3.926502 -0.000000 3.926502\n3.926502 3.926502 0.000000\nBa Bi Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Se"
],
"chemical_system": "Ba-Bi-Se",
"density": 5.832620565229772,
"density_atomic": 0.02477843026925378,
"volume": 121.07304487817126,
"volume_molar": 24.303963949938147,
"formula_full": "Ba1 Bi1 Se1",
"formula_reduced": "BaBiSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4557912122222222,
"spacegroup": 216
},
{
"id": "jvasp-69325",
"created_at": "2022-09-04T14:35:46.673041Z",
"updated_at": "2022-09-04T14:35:46.673057Z",
"structure_string": "Ba1 Bi1 Se4\n1.0\n0.000000 4.303271 4.303271\n4.303271 0.000000 4.303271\n4.303271 4.303271 0.000000\nBa Bi Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Bi\n0.625509 0.123472 0.625509 Se\n0.123472 0.625509 0.625509 Se\n0.625509 0.625509 0.625509 Se\n0.625509 0.625509 0.123472 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Se"
],
"chemical_system": "Ba-Bi-Se",
"density": 6.898865682166316,
"density_atomic": 0.03764654839997532,
"volume": 159.37716085557352,
"volume_molar": 15.99652827669043,
"formula_full": "Ba1 Bi1 Se4",
"formula_reduced": "BaBiSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1121422894444444,
"spacegroup": 216
},
{
"id": "jvasp-65757",
"created_at": "2022-09-04T14:36:07.298253Z",
"updated_at": "2022-09-04T14:36:07.298279Z",
"structure_string": "Ba1 Si1 Bi2\n1.0\n4.262208 0.000000 0.000000\n0.000000 4.262208 -0.000000\n0.000000 -0.000000 7.133283\nBa Si Bi\n1 1 2\ndirect\n0.500000 0.500000 0.749272 Ba\n0.000000 0.000000 0.436135 Si\n0.000000 0.000000 0.041376 Bi\n0.500000 0.500000 0.273215 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Bi"
],
"chemical_system": "Ba-Bi-Si",
"density": 7.475442611521308,
"density_atomic": 0.030867485821130754,
"volume": 129.5861938085591,
"volume_molar": 19.509657491694586,
"formula_full": "Ba1 Si1 Bi2",
"formula_reduced": "BaSiBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1438907925,
"spacegroup": 99
},
{
"id": "jvasp-65700",
"created_at": "2022-09-04T14:36:06.908770Z",
"updated_at": "2022-09-04T14:36:06.908785Z",
"structure_string": "Ba1 Si1 Bi2\n1.0\n4.285606 0.000000 0.000000\n0.000000 4.285606 -0.000000\n0.000000 -0.000000 7.027635\nBa Si Bi\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.787495 Bi\n0.000000 0.000000 0.212505 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Bi"
],
"chemical_system": "Ba-Bi-Si",
"density": 7.505194746538174,
"density_atomic": 0.03099033789203904,
"volume": 129.07248749383726,
"volume_molar": 19.43231719828069,
"formula_full": "Ba1 Si1 Bi2",
"formula_reduced": "BaSiBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1528057925,
"spacegroup": 123
},
{
"id": "jvasp-65552",
"created_at": "2022-09-04T14:36:13.056027Z",
"updated_at": "2022-09-04T14:36:13.056062Z",
"structure_string": "Ba1 Si1 Bi2\n1.0\n4.284698 -0.000000 0.000000\n-0.000000 4.285164 0.000000\n0.000000 0.000000 7.029410\nBa Si Bi\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.287514 Bi\n0.000000 0.000000 0.712486 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Bi"
],
"chemical_system": "Ba-Bi-Si",
"density": 7.505663785703358,
"density_atomic": 0.030992274641544488,
"volume": 129.06442157808206,
"volume_molar": 19.43110284627979,
"formula_full": "Ba1 Si1 Bi2",
"formula_reduced": "BaSiBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1527857924999998,
"spacegroup": 123
},
{
"id": "jvasp-64013",
"created_at": "2022-09-04T14:37:52.176007Z",
"updated_at": "2022-09-04T14:37:52.176030Z",
"structure_string": "Ba4 Si1 Bi1\n1.0\n0.000000 4.922790 4.922790\n4.922790 0.000000 4.922790\n4.922790 4.922790 0.000000\nBa Si Bi\n4 1 1\ndirect\n0.125149 0.624950 0.624950 Ba\n0.624950 0.624950 0.624950 Ba\n0.624950 0.125149 0.624950 Ba\n0.624950 0.624950 0.125149 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Bi"
],
"chemical_system": "Ba-Bi-Si",
"density": 5.47285905051489,
"density_atomic": 0.025147066228848877,
"volume": 238.59642096606726,
"volume_molar": 23.947687198164537,
"formula_full": "Ba4 Si1 Bi1",
"formula_reduced": "Ba4SiBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6053411299999998,
"spacegroup": 216
},
{
"id": "jvasp-66214",
"created_at": "2022-09-04T14:35:52.219932Z",
"updated_at": "2022-09-04T14:35:52.219951Z",
"structure_string": "Ba1 Sn1 Bi1\n1.0\n-0.000000 3.991673 3.991673\n3.991673 -0.000000 3.991673\n3.991673 3.991673 -0.000000\nBa Sn Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Bi"
],
"chemical_system": "Ba-Bi-Sn",
"density": 6.07048563993837,
"density_atomic": 0.023584484592125567,
"volume": 127.20227097952548,
"volume_molar": 25.534332694345515,
"formula_full": "Ba1 Sn1 Bi1",
"formula_reduced": "BaSnBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2678973233333332,
"spacegroup": 216
}
]
}