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=450",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=448",
"results": [
{
"id": "jvasp-37544",
"created_at": "2022-09-04T14:37:59.336187Z",
"updated_at": "2022-09-04T14:37:59.336214Z",
"structure_string": "Ba1 Sr1 Yb2\n1.0\n0.000000 4.521264 4.521264\n4.521264 0.000000 4.521264\n4.521264 4.521264 -0.000000\nYb Ba Sr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Sr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr-Yb",
"density": 5.129749357005511,
"density_atomic": 0.021639658161230427,
"volume": 184.84580348715457,
"volume_molar": 27.82918618737359,
"formula_full": "Ba1 Sr1 Yb2",
"formula_reduced": "BaSrYb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66532",
"created_at": "2022-09-04T14:35:55.664294Z",
"updated_at": "2022-09-04T14:35:55.664321Z",
"structure_string": "Ba1 Sr1 Zn1\n1.0\n-0.000000 3.923866 3.923866\n3.923866 -0.000000 3.923866\n3.923866 3.923866 -0.000000\nBa Sr Zn\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Zn"
],
"chemical_system": "Ba-Sr-Zn",
"density": 3.990317044224996,
"density_atomic": 0.024828401264986165,
"volume": 120.82936665884723,
"volume_molar": 24.255048465374298,
"formula_full": "Ba1 Sr1 Zn1",
"formula_reduced": "BaSrZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1247437133333333,
"spacegroup": 216
},
{
"id": "jvasp-77362",
"created_at": "2022-09-04T14:38:05.525487Z",
"updated_at": "2022-09-04T14:38:05.525505Z",
"structure_string": "Ba1 Sr1 Zn2\n1.0\n-11.928827 -6.834277 -1.306946\n-8.622294 -3.985779 2.262089\n-5.607733 0.405891 0.416762\nBa Sr Zn\n1 1 2\ndirect\n0.500001 -0.000001 -0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n0.750011 0.000091 -0.000092 Zn\n0.249991 -0.000092 0.000092 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Zn"
],
"chemical_system": "Ba-Sr-Zn",
"density": 4.6630836875398805,
"density_atomic": 0.03157336595980995,
"volume": 126.68905827435817,
"volume_molar": 19.073483542000695,
"formula_full": "Ba1 Sr1 Zn2",
"formula_reduced": "BaSrZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100564",
"created_at": "2022-09-04T14:36:39.604932Z",
"updated_at": "2022-09-04T14:36:39.604952Z",
"structure_string": "Ba1 Sr1 Zn1 W1 O6\n1.0\n4.965081 0.000000 2.866591\n1.655027 4.681123 2.866591\n0.000000 0.000000 5.733181\nBa Sr Zn W O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.760689 0.239311 0.239311 O\n0.760690 0.760689 0.239311 O\n0.239311 0.760689 0.239311 O\n0.239311 0.239311 0.760689 O\n0.760689 0.239311 0.760689 O\n0.239311 0.760689 0.760689 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Zn",
"W",
"O"
],
"chemical_system": "Ba-O-Sr-W-Zn",
"density": 7.10556273649504,
"density_atomic": 0.0750460704018003,
"volume": 133.2514806765966,
"volume_molar": 8.024591731128847,
"formula_full": "Ba1 Sr1 Zn1 W1 O6",
"formula_reduced": "BaSrZnWO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.126279368,
"spacegroup": 216
},
{
"id": "jvasp-69283",
"created_at": "2022-09-04T14:35:46.763270Z",
"updated_at": "2022-09-04T14:35:46.763296Z",
"structure_string": "Ba1 Ta2 Be1\n1.0\n4.222197 0.000000 -0.000000\n-0.000000 4.222197 -0.000000\n0.000000 -0.000000 4.737420\nBa Ta Be\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Be"
],
"chemical_system": "Ba-Be-Ta",
"density": 9.992973663554228,
"density_atomic": 0.04736320867422221,
"volume": 84.45373765770711,
"volume_molar": 12.714807397070622,
"formula_full": "Ba1 Ta2 Be1",
"formula_reduced": "BaTa2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.071365117499999,
"spacegroup": 123
},
{
"id": "jvasp-12549",
"created_at": "2022-09-04T14:38:14.311089Z",
"updated_at": "2022-09-04T14:38:14.311112Z",
"structure_string": "Ba1 Ta2 Bi2 O9\n1.0\n3.922980 0.000000 -0.596794\n-0.090789 3.921929 -0.596794\n-0.064207 -0.065710 12.770041\nBa Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.410966 0.410967 0.821934 Ta\n0.589033 0.589033 0.178067 Ta\n0.200826 0.200827 0.401654 Bi\n0.799172 0.799173 0.598347 Bi\n0.581810 0.081811 0.163621 O\n0.081810 0.581811 0.163621 O\n0.418188 0.918190 0.836380 O\n0.918189 0.418190 0.836380 O\n0.249999 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.335387 0.335387 0.670776 O\n0.664612 0.664613 0.329225 O\n0.749999 0.250000 0.500000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Ta",
"density": 8.982762805754971,
"density_atomic": 0.0713675136963811,
"volume": 196.16768575629825,
"volume_molar": 8.43821011562768,
"formula_full": "Ba1 Ta2 Bi2 O9",
"formula_reduced": "BaTa2Bi2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.0557453192857142,
"spacegroup": 139
},
{
"id": "jvasp-69101",
"created_at": "2022-09-04T14:36:14.824056Z",
"updated_at": "2022-09-04T14:36:14.824067Z",
"structure_string": "Ba1 Ta2 P1\n1.0\n-2.135057 2.135057 4.799637\n2.135057 -2.135057 4.799637\n2.135057 2.135057 -4.799637\nBa Ta P\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.750001 0.250000 0.500001 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"P"
],
"chemical_system": "Ba-P-Ta",
"density": 10.0600152744509,
"density_atomic": 0.045705941504783756,
"volume": 87.51597425427381,
"volume_molar": 13.175837892694323,
"formula_full": "Ba1 Ta2 P1",
"formula_reduced": "BaTa2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.262052467499999,
"spacegroup": 139
},
{
"id": "jvasp-65744",
"created_at": "2022-09-04T14:35:43.733129Z",
"updated_at": "2022-09-04T14:35:43.733149Z",
"structure_string": "Ba1 Ta2 Se1\n1.0\n-2.103633 2.103633 5.858282\n2.103633 -2.103633 5.858282\n2.103633 2.103633 -5.858282\nBa Ta Se\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.749999 0.250000 0.499999 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Se"
],
"chemical_system": "Ba-Se-Ta",
"density": 9.258572261650933,
"density_atomic": 0.038573564812317614,
"volume": 103.69796049346957,
"volume_molar": 15.61209286541482,
"formula_full": "Ba1 Ta2 Se1",
"formula_reduced": "BaTa2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.821654434166666,
"spacegroup": 139
},
{
"id": "jvasp-68974",
"created_at": "2022-09-04T14:36:03.969953Z",
"updated_at": "2022-09-04T14:36:03.969989Z",
"structure_string": "Ba1 Ta2 Se1\n1.0\n4.222441 0.000000 0.000000\n0.000000 4.222441 -0.000000\n0.000000 0.000000 5.661598\nBa Ta Se\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Se"
],
"chemical_system": "Ba-Se-Ta",
"density": 9.511478409016826,
"density_atomic": 0.03962723609025959,
"volume": 100.94067602618402,
"volume_molar": 15.19697398598094,
"formula_full": "Ba1 Ta2 Se1",
"formula_reduced": "BaTa2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8175069341666656,
"spacegroup": 123
},
{
"id": "jvasp-65495",
"created_at": "2022-09-04T14:36:03.917141Z",
"updated_at": "2022-09-04T14:36:03.917167Z",
"structure_string": "Ba1 Ta2 Tl1\n1.0\n3.821008 -0.000000 0.000000\n0.000000 3.832217 0.000000\n0.000000 0.000000 7.479973\nBa Ta Tl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.339265 Ta\n0.000000 0.000000 0.660735 Ta\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Tl"
],
"chemical_system": "Ba-Ta-Tl",
"density": 10.667203946367772,
"density_atomic": 0.03652009688651856,
"volume": 109.52873461506628,
"volume_molar": 16.48993642791534,
"formula_full": "Ba1 Ta2 Tl1",
"formula_reduced": "BaTa2Tl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3468267425,
"spacegroup": 123
},
{
"id": "jvasp-51311",
"created_at": "2022-09-04T14:36:47.165586Z",
"updated_at": "2022-09-04T14:36:47.165607Z",
"structure_string": "Ba1 Ta1 B1\n1.0\n0.000000 3.200982 3.200982\n3.200982 -0.000000 3.200982\n3.200982 3.200982 0.000000\nBa Ta B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"B"
],
"chemical_system": "B-Ba-Ta",
"density": 8.330645506532962,
"density_atomic": 0.04573425017142038,
"volume": 65.59635259691474,
"volume_molar": 13.167682289373738,
"formula_full": "Ba1 Ta1 B1",
"formula_reduced": "BaTaB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.715955917777777,
"spacegroup": 216
},
{
"id": "jvasp-66599",
"created_at": "2022-09-04T14:36:17.658472Z",
"updated_at": "2022-09-04T14:36:17.658506Z",
"structure_string": "Ba1 Ta1 Bi1\n1.0\n-0.000000 3.895002 3.895002\n3.895002 -0.000000 3.895002\n3.895002 3.895002 -0.000000\nBa Ta Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Bi"
],
"chemical_system": "Ba-Bi-Ta",
"density": 7.408273106831022,
"density_atomic": 0.02538447606628603,
"volume": 118.18246680239346,
"volume_molar": 23.723715014934683,
"formula_full": "Ba1 Ta1 Bi1",
"formula_reduced": "BaTaBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6496264899999997,
"spacegroup": 216
}
]
}