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=updated_at&page=522",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=520",
"results": [
{
"id": "jvasp-66299",
"created_at": "2022-09-04T14:35:57.952236Z",
"updated_at": "2022-09-04T14:35:57.952253Z",
"structure_string": "Ba4 Te1 Ir1\n1.0\n0.000000 4.792965 4.792965\n4.792965 0.000000 4.792965\n4.792965 4.792965 -0.000000\nBa Te Ir\n4 1 1\ndirect\n0.126875 0.624374 0.624374 Ba\n0.624374 0.624374 0.624374 Ba\n0.624374 0.126875 0.624374 Ba\n0.624374 0.624374 0.126875 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Ir"
],
"chemical_system": "Ba-Ir-Te",
"density": 6.553730391324757,
"density_atomic": 0.027246359453441123,
"volume": 220.21290625093843,
"volume_molar": 22.10255197686392,
"formula_full": "Ba4 Te1 Ir1",
"formula_reduced": "Ba4TeIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9026854577777776,
"spacegroup": 216
},
{
"id": "jvasp-97663",
"created_at": "2022-09-04T14:35:57.960144Z",
"updated_at": "2022-09-04T14:35:57.960153Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.131565 0.000000 0.000000\n0.000000 5.966691 -0.000000\n0.000000 -0.000000 7.296064\nH Cl O\n12 4 20\ndirect\n0.091725 0.611582 0.177203 H\n0.591726 0.888418 0.322797 H\n0.908275 0.111582 0.822797 H\n0.408275 0.388418 0.677202 H\n0.908275 0.388418 0.822797 H\n0.408275 0.111582 0.677202 H\n0.091725 0.888418 0.177203 H\n0.591726 0.611582 0.322797 H\n0.244538 0.750000 0.074505 H\n0.744539 0.750000 0.425494 H\n0.755462 0.250000 -0.074505 H\n0.255462 0.250000 0.574505 H\n0.565474 0.750000 0.815134 Cl\n0.065474 0.750000 0.684865 Cl\n0.934526 0.250000 0.315134 Cl\n0.434526 0.250000 0.184865 Cl\n0.060769 0.550351 0.805034 O\n0.665241 0.750000 0.322621 O\n0.165241 0.750000 0.177379 O\n0.439231 0.050351 0.305034 O\n-0.060769 0.449649 0.194965 O\n0.560769 0.550351 0.694965 O\n0.060769 0.949649 0.805034 O\n0.560769 0.949649 0.694965 O\n0.439231 0.449649 0.305034 O\n0.282791 0.250000 0.082743 O\n0.424081 0.750000 -0.062773 O\n-0.075920 0.750000 0.562773 O\n0.575920 0.250000 0.062773 O\n0.075920 0.250000 0.437227 O\n0.717209 0.750000 0.917256 O\n0.217209 0.750000 0.582743 O\n0.834760 0.250000 0.822620 O\n0.782792 0.250000 0.417256 O\n-0.060769 0.050351 0.194965 O\n0.334759 0.250000 0.677379 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 2.222977978175401,
"density_atomic": 0.10169654077179993,
"volume": 353.9943416638087,
"volume_molar": 5.921677093730524,
"formula_full": "H12 Cl4 O20",
"formula_reduced": "H3ClO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.568015729722222,
"spacegroup": 62
},
{
"id": "jvasp-93890",
"created_at": "2022-09-04T14:35:57.961219Z",
"updated_at": "2022-09-04T14:35:57.961248Z",
"structure_string": "Na2 P2 O2\n1.0\n0.000000 0.000000 -2.812793\n-4.219312 3.708354 -1.406397\n4.219312 3.708354 -1.406397\nNa P O\n2 2 2\ndirect\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500001 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.195737 0.749999 0.749999 O\n0.804266 0.250000 0.250000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.6397116912791008,
"density_atomic": 0.06816487710859379,
"volume": 88.02187071270401,
"volume_molar": 8.834668256507085,
"formula_full": "Na2 P2 O2",
"formula_reduced": "NaPO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1405360000000004,
"spacegroup": 74
},
{
"id": "jvasp-107979",
"created_at": "2022-09-04T14:35:57.965484Z",
"updated_at": "2022-09-04T14:35:57.965502Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n4.299768 -0.000000 2.482472\n1.433256 4.053860 2.482472\n-0.000000 -0.000000 4.964944\nSc Cd Hg\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Sc\n0.250000 0.250000 0.249999 Sc\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sc",
"density": 7.730935750106991,
"density_atomic": 0.04622020500370027,
"volume": 86.54223839292297,
"volume_molar": 13.029238532191458,
"formula_full": "Sc2 Cd1 Hg1",
"formula_reduced": "Sc2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6727744375,
"spacegroup": 225
},
{
"id": "jvasp-98483",
"created_at": "2022-09-04T14:35:57.965711Z",
"updated_at": "2022-09-04T14:35:57.965723Z",
"structure_string": "Sm12 Si8 Cl4 O32\n1.0\n6.295936 0.000000 0.000000\n-0.000000 7.045851 0.000000\n0.000000 0.000000 18.065009\nSm Si Cl O\n12 8 4 32\ndirect\n0.116324 0.200479 0.250000 Sm\n0.873525 0.481560 0.408401 Sm\n0.373524 0.018439 0.591599 Sm\n0.626476 0.981560 0.091599 Sm\n0.126476 0.518439 0.908401 Sm\n0.126476 0.518439 0.591599 Sm\n0.616324 0.299521 0.750000 Sm\n0.373524 0.018439 0.908401 Sm\n0.873525 0.481560 0.091599 Sm\n0.883677 0.799521 0.750000 Sm\n0.383676 0.700479 0.250000 Sm\n0.626476 0.981560 0.408401 Sm\n0.377963 0.472461 0.099584 Si\n0.877963 0.027539 0.900416 Si\n0.122037 0.972461 0.400416 Si\n0.622038 0.527539 0.599584 Si\n0.377963 0.472461 0.400416 Si\n0.877963 0.027539 0.599584 Si\n0.622038 0.527539 0.900416 Si\n0.122037 0.972461 0.099584 Si\n0.756339 0.446542 0.250000 Cl\n0.743662 0.946542 0.250000 Cl\n0.243662 0.553458 0.750000 Cl\n0.256338 0.053458 0.750000 Cl\n0.029415 0.840305 0.881500 O\n0.970585 0.159694 0.381500 O\n0.470585 0.340306 0.618500 O\n0.529416 0.659694 0.118500 O\n0.213714 0.485679 0.469660 O\n0.470585 0.340306 0.881500 O\n0.713714 0.014321 0.530340 O\n0.286287 0.985679 0.030340 O\n0.786287 0.514321 0.969660 O\n0.786287 0.514321 0.530340 O\n0.286287 0.985679 0.469660 O\n0.713714 0.014321 0.969660 O\n0.213714 0.485679 0.030340 O\n0.221711 0.462084 0.325374 O\n0.721711 0.037916 0.674626 O\n0.278289 0.962084 0.174626 O\n0.778290 0.537916 0.825374 O\n0.529416 0.659694 0.381500 O\n0.778290 0.537916 0.674626 O\n0.721711 0.037916 0.825374 O\n0.221711 0.462084 0.174626 O\n0.549386 0.300368 0.404501 O\n0.049386 0.199632 0.595500 O\n0.950615 0.800367 0.095499 O\n0.450615 0.699632 0.904501 O\n0.450615 0.699632 0.595500 O\n0.950615 0.800367 0.404501 O\n0.049386 0.199632 0.904501 O\n0.549386 0.300368 0.095499 O\n0.970585 0.159694 0.118500 O\n0.278289 0.962084 0.325374 O\n0.029415 0.840305 0.618500 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-O-Si-Sm",
"density": 5.559105746597366,
"density_atomic": 0.06988051311858547,
"volume": 801.3678993021905,
"volume_molar": 8.617768375255887,
"formula_full": "Sm12 Si8 Cl4 O32",
"formula_reduced": "Sm3Si2ClO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4270811351785717,
"spacegroup": 62
},
{
"id": "jvasp-64547",
"created_at": "2022-09-04T14:35:57.969280Z",
"updated_at": "2022-09-04T14:35:57.969304Z",
"structure_string": "Ba4 Zn1 Sb1\n1.0\n0.000000 5.006421 5.006421\n5.006421 -0.000000 5.006421\n5.006421 5.006421 0.000000\nBa Zn Sb\n4 1 1\ndirect\n0.129257 0.623581 0.623581 Ba\n0.623581 0.623581 0.623581 Ba\n0.623581 0.129257 0.623581 Ba\n0.623581 0.623581 0.129257 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Sb"
],
"chemical_system": "Ba-Sb-Zn",
"density": 4.872997490956915,
"density_atomic": 0.023907774573118247,
"volume": 250.96438740669583,
"volume_molar": 25.189047778504897,
"formula_full": "Ba4 Zn1 Sb1",
"formula_reduced": "Ba4ZnSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-63970",
"created_at": "2022-09-04T14:35:57.969617Z",
"updated_at": "2022-09-04T14:35:57.969626Z",
"structure_string": "Ba4 Tc1 Sb1\n1.0\n0.000000 4.891579 4.891579\n4.891579 0.000000 4.891579\n4.891579 4.891579 0.000000\nBa Tc Sb\n4 1 1\ndirect\n0.125495 0.624835 0.624835 Ba\n0.624835 0.624835 0.624835 Ba\n0.624835 0.125495 0.624835 Ba\n0.624835 0.624835 0.125495 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tc",
"Sb"
],
"chemical_system": "Ba-Sb-Tc",
"density": 5.455525969709481,
"density_atomic": 0.025631500975814583,
"volume": 234.08695439496464,
"volume_molar": 23.49507649076963,
"formula_full": "Ba4 Tc1 Sb1",
"formula_reduced": "Ba4TcSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.255131913333333,
"spacegroup": 216
},
{
"id": "jvasp-66534",
"created_at": "2022-09-04T14:35:57.970359Z",
"updated_at": "2022-09-04T14:35:57.970384Z",
"structure_string": "Ba4 Y1 Mo1\n1.0\n-0.000000 4.876216 4.876216\n4.876216 -0.000000 4.876216\n4.876216 4.876216 0.000000\nBa Y Mo\n4 1 1\ndirect\n0.128118 0.623961 0.623961 Ba\n0.623961 0.623961 0.623961 Ba\n0.623961 0.128118 0.623961 Ba\n0.623961 0.623961 0.128118 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mo"
],
"chemical_system": "Ba-Mo-Y",
"density": 5.25723483541315,
"density_atomic": 0.025874528777455337,
"volume": 231.88828100428415,
"volume_molar": 23.274397813370555,
"formula_full": "Ba4 Y1 Mo1",
"formula_reduced": "Ba4YMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.667357538333333,
"spacegroup": 216
},
{
"id": "jvasp-91606",
"created_at": "2022-09-04T14:35:57.972701Z",
"updated_at": "2022-09-04T14:35:57.972726Z",
"structure_string": "Lu2 Cu2 As4\n1.0\n3.870379 0.000000 -0.000000\n-0.000000 3.870379 -0.000000\n-0.000000 0.000000 9.711557\nLu Cu As\n2 2 4\ndirect\n0.750000 0.750000 0.765161 Lu\n0.250000 0.250000 0.234839 Lu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 As\n0.250000 0.750000 0.000000 As\n0.250000 0.250000 0.667926 As\n0.750000 0.750000 0.332074 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Lu",
"Cu",
"As"
],
"chemical_system": "As-Cu-Lu",
"density": 8.865709224739433,
"density_atomic": 0.05499131869872243,
"volume": 145.47750789227496,
"volume_molar": 10.951075374266132,
"formula_full": "Lu2 Cu2 As4",
"formula_reduced": "LuCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.195289925,
"spacegroup": 129
},
{
"id": "jvasp-96994",
"created_at": "2022-09-04T14:35:57.973422Z",
"updated_at": "2022-09-04T14:35:57.973457Z",
"structure_string": "Fe8 Bi4 O18\n1.0\n5.831056 0.000000 0.000000\n0.000000 7.840068 -0.000000\n0.000000 0.000000 8.349610\nFe Bi O\n8 4 18\ndirect\n0.742362 0.500000 0.000000 Fe\n0.257638 0.500000 0.000000 Fe\n0.742362 0.000000 0.500000 Fe\n0.257638 0.000000 0.500000 Fe\n0.500000 0.347030 0.332628 Fe\n0.500000 0.652970 0.667372 Fe\n0.500000 0.847030 0.167372 Fe\n0.500000 0.152970 0.832628 Fe\n0.000000 0.161808 0.162617 Bi\n0.000000 0.661808 0.337383 Bi\n0.000000 0.838192 0.837383 Bi\n0.000000 0.338192 0.662617 Bi\n0.758048 0.371861 0.197075 O\n0.500000 0.371550 0.913515 O\n0.500000 0.628450 0.086485 O\n0.500000 0.871550 0.586485 O\n0.500000 0.128450 0.413515 O\n0.241953 0.871861 0.302925 O\n0.241953 0.128139 0.697075 O\n0.758048 0.628139 0.802925 O\n0.000000 0.644227 0.071980 O\n0.758048 0.871861 0.302925 O\n0.241953 0.628139 0.802925 O\n0.241953 0.371861 0.197075 O\n0.000000 0.355773 0.928020 O\n0.500000 0.000000 0.000000 O\n0.000000 0.855773 0.571980 O\n0.000000 0.144227 0.428020 O\n0.758048 0.128139 0.697075 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 6.832836597546177,
"density_atomic": 0.07859375203522444,
"volume": 381.7097316661316,
"volume_molar": 7.66236577851758,
"formula_full": "Fe8 Bi4 O18",
"formula_reduced": "Fe4Bi2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.99470414,
"spacegroup": 55
},
{
"id": "jvasp-75708",
"created_at": "2022-09-04T14:35:57.973609Z",
"updated_at": "2022-09-04T14:35:57.973644Z",
"structure_string": "Zn1 As1 Au1\n1.0\n-0.000000 3.104410 3.104410\n3.104410 0.000000 3.104410\n3.104410 3.104410 -0.000000\nZn As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"As",
"Au"
],
"chemical_system": "As-Au-Zn",
"density": 9.360403637622559,
"density_atomic": 0.05013650289100934,
"volume": 59.83664250619224,
"volume_molar": 12.01148945926963,
"formula_full": "Zn1 As1 Au1",
"formula_reduced": "ZnAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3425265733333335,
"spacegroup": 216
},
{
"id": "jvasp-74528",
"created_at": "2022-09-04T14:35:57.981018Z",
"updated_at": "2022-09-04T14:35:57.981027Z",
"structure_string": "Be1 Zn1 P4\n1.0\n0.000000 3.617498 3.617498\n3.617498 0.000000 3.617498\n3.617498 3.617498 0.000000\nBe Zn P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.120853 0.626383 0.626383 P\n0.626383 0.626383 0.626383 P\n0.626383 0.120853 0.626383 P\n0.626383 0.626383 0.120853 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"P"
],
"chemical_system": "Be-P-Zn",
"density": 3.478183260559946,
"density_atomic": 0.0633718456368587,
"volume": 94.67926868316181,
"volume_molar": 9.502864717731004,
"formula_full": "Be1 Zn1 P4",
"formula_reduced": "BeZnP4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.387521416666667,
"spacegroup": 216
}
]
}