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_anonymous&page=3502",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3500",
"results": [
{
"id": "jvasp-122486",
"created_at": "2022-09-04T14:38:50.603324Z",
"updated_at": "2022-09-04T14:38:50.603361Z",
"structure_string": "Cu6 P2 Se4 S4\n1.0\n6.302642 0.000000 0.000000\n0.000000 6.574427 0.000000\n0.000000 0.000000 7.417512\nCu P Se S\n6 2 4 4\ndirect\n0.528350 0.826891 0.500000 Cu\n0.028351 0.173109 -0.000000 Cu\n0.487602 0.339711 0.246946 Cu\n0.487602 0.339711 0.753054 Cu\n0.987601 0.660289 0.253054 Cu\n0.987601 0.660289 0.746946 Cu\n0.018751 0.181393 0.500000 P\n0.518751 0.818607 -0.000000 P\n0.655585 0.174936 0.500000 Se\n0.155585 0.825065 -0.000000 Se\n0.141616 0.855309 0.500000 Se\n0.641616 0.144691 -0.000000 Se\n0.128247 0.339733 0.264274 S\n0.128247 0.339733 0.735726 S\n0.628246 0.660267 0.235726 S\n0.628246 0.660267 0.764274 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"P",
"Se",
"S"
],
"chemical_system": "Cu-P-S-Se",
"density": 4.793936625719359,
"density_atomic": 0.0520572447522817,
"volume": 307.3539538278908,
"volume_molar": 11.568304831838121,
"formula_full": "Cu6 P2 Se4 S4",
"formula_reduced": "Cu3P(SeS)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.177575447916667,
"spacegroup": 31
},
{
"id": "jvasp-107725",
"created_at": "2022-09-04T14:38:49.324112Z",
"updated_at": "2022-09-04T14:38:49.324132Z",
"structure_string": "Yb2 U1 Se3 O2\n1.0\n3.803495 0.007681 -10.519994\n-0.109562 3.801924 -10.519994\n-0.007447 -0.007681 11.186456\nYb U Se O\n2 1 3 2\ndirect\n0.993162 0.993162 -0.000001 Yb\n0.306172 0.306172 -0.000000 Yb\n0.694662 0.694662 -0.000001 U\n0.863402 0.863402 -0.000001 Se\n0.128114 0.128114 -0.000000 Se\n0.533984 0.533984 -0.000001 Se\n0.740249 0.240250 0.499999 O\n0.240250 0.740250 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Yb",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U-Yb",
"density": 8.78896580902616,
"density_atomic": 0.04964047067461148,
"volume": 161.15882648331907,
"volume_molar": 12.131514222487041,
"formula_full": "Yb2 U1 Se3 O2",
"formula_reduced": "Yb2USe3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6532443124999996,
"spacegroup": 107
},
{
"id": "jvasp-103690",
"created_at": "2022-09-04T14:36:45.267035Z",
"updated_at": "2022-09-04T14:36:45.267052Z",
"structure_string": "Nd2 Cu1 Si3 Rh2\n1.0\n8.839422 -0.004307 0.000000\n-7.872984 4.018895 0.000000\n-0.000000 -0.000000 4.116393\nNd Cu Si Rh\n2 1 3 2\ndirect\n0.896882 0.103117 -0.000000 Nd\n0.103468 0.896535 0.500000 Nd\n0.534474 0.465526 -0.000000 Cu\n0.466649 0.533352 0.500000 Si\n0.674942 0.325058 -0.000000 Si\n0.324077 0.675924 0.500000 Si\n0.249574 0.750427 -0.000000 Rh\n0.749939 0.250061 0.500000 Rh\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Si",
"Rh"
],
"chemical_system": "Cu-Nd-Rh-Si",
"density": 7.298228512927507,
"density_atomic": 0.05475923443861212,
"volume": 146.09408042342895,
"volume_molar": 10.997488956408121,
"formula_full": "Nd2 Cu1 Si3 Rh2",
"formula_reduced": "Nd2CuSi3Rh2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 2.51436065625,
"spacegroup": 38
},
{
"id": "jvasp-102680",
"created_at": "2022-09-04T14:36:53.053473Z",
"updated_at": "2022-09-04T14:36:53.053490Z",
"structure_string": "Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Br",
"N"
],
"chemical_system": "Br-Ca-N-Sr",
"density": 3.8430211769248643,
"density_atomic": 0.04679232417097489,
"volume": 170.96821202487675,
"volume_molar": 12.869932978741653,
"formula_full": "Sr1 Ca3 Br2 N2",
"formula_reduced": "SrCa3(BrN)2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.003379035,
"spacegroup": 6
},
{
"id": "jvasp-104954",
"created_at": "2022-09-04T14:36:42.494156Z",
"updated_at": "2022-09-04T14:36:42.494181Z",
"structure_string": "K2 Fe2 Se1 S3\n1.0\n5.111069 -0.073785 -0.980167\n-1.991559 5.555333 -2.901862\n0.053730 -0.008275 6.562568\nK Fe Se S\n2 2 1 3\ndirect\n0.237232 0.365193 0.645432 K\n0.751850 0.629828 0.345669 K\n0.250626 0.001792 0.008501 Fe\n0.755981 0.001303 0.007240 Fe\n0.407934 0.923183 0.685001 Se\n0.108872 0.302717 0.094521 S\n0.591716 0.077335 0.298196 S\n0.895789 0.698647 0.915440 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Fe",
"Se",
"S"
],
"chemical_system": "Fe-K-S-Se",
"density": 3.267099979882503,
"density_atomic": 0.04311823301814334,
"volume": 185.53635991144978,
"volume_molar": 13.966575943559647,
"formula_full": "K2 Fe2 Se1 S3",
"formula_reduced": "K2Fe2SeS3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6555562958333336,
"spacegroup": 1
},
{
"id": "jvasp-105503",
"created_at": "2022-09-04T14:36:48.661201Z",
"updated_at": "2022-09-04T14:36:48.661221Z",
"structure_string": "Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Te",
"Se"
],
"chemical_system": "Ag-Ga-Se-Te",
"density": 5.547450204164471,
"density_atomic": 0.037136886406864224,
"volume": 215.41924415400948,
"volume_molar": 16.216062633853152,
"formula_full": "Ga2 Ag2 Te1 Se3",
"formula_reduced": "Ga2Ag2TeSe3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.4853858795833333,
"spacegroup": 5
},
{
"id": "jvasp-51818",
"created_at": "2022-09-04T14:37:06.634352Z",
"updated_at": "2022-09-04T14:37:06.634381Z",
"structure_string": "Ba1 Co2 P2 H2 O9\n1.0\n4.617640 2.449512 -0.145601\n-4.617640 2.449512 0.145601\n-0.006953 0.000000 8.331377\nBa Co P H O\n1 2 2 2 9\ndirect\n0.229399 0.229399 0.500000 Ba\n0.503269 0.835234 0.854759 Co\n0.835235 0.503268 0.145241 Co\n0.890813 0.581964 0.761408 P\n0.581964 0.890813 0.238593 P\n0.215185 0.337081 0.066893 H\n0.337082 0.215185 0.933107 H\n0.392562 0.392562 -0.000000 O\n0.679541 0.046757 0.066788 O\n0.046757 0.679541 0.933213 O\n0.781023 0.795930 0.710139 O\n0.795930 0.781022 0.289861 O\n0.153243 0.643052 0.652279 O\n0.643053 0.153243 0.347722 O\n0.605445 0.246696 0.754754 O\n0.246696 0.605445 0.245246 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Co",
"P",
"H",
"O"
],
"chemical_system": "Ba-Co-H-O-P",
"density": 4.080722625805026,
"density_atomic": 0.08489556160500611,
"volume": 188.4668608995516,
"volume_molar": 7.09358728082775,
"formula_full": "Ba1 Co2 P2 H2 O9",
"formula_reduced": "BaCo2P2H2O9",
"formula_anonymous": "AB2C2D2E9",
"energy_above_hull": 2.9319856418750003,
"spacegroup": 5
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-111725",
"created_at": "2022-09-04T14:38:41.646876Z",
"updated_at": "2022-09-04T14:38:41.646901Z",
"structure_string": "V2 Fe2 Pb1 O8 F2\n1.0\n5.061869 0.031769 1.841515\n1.559366 4.815798 1.841515\n-0.153261 -0.112206 7.778642\nV Fe Pb O F\n2 2 1 8 2\ndirect\n0.559879 0.559878 0.250672 V\n0.440123 0.440122 0.749328 V\n0.500000 -0.000000 0.500000 Fe\n0.000001 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Pb\n0.670409 0.670408 0.405128 O\n0.329592 0.329592 0.594872 O\n0.302058 0.302057 0.965881 O\n0.697943 0.697943 0.034119 O\n0.682979 0.198124 0.281007 O\n0.317023 0.801876 0.718993 O\n0.801877 0.317021 0.718993 O\n0.198124 0.682978 0.281007 O\n0.832311 0.832311 0.591619 F\n0.167690 0.167689 0.408381 F\n",
"nsites": 15,
"nelements": 5,
"elements": [
"V",
"Fe",
"Pb",
"O",
"F"
],
"chemical_system": "F-Fe-O-Pb-V",
"density": 5.093074695992752,
"density_atomic": 0.07840757133568696,
"volume": 191.3080553889417,
"volume_molar": 7.680560253827223,
"formula_full": "V2 Fe2 Pb1 O8 F2",
"formula_reduced": "V2Fe2Pb(O4F)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 2.749464585666667,
"spacegroup": 12
},
{
"id": "jvasp-56694",
"created_at": "2022-09-04T14:38:33.512478Z",
"updated_at": "2022-09-04T14:38:33.512511Z",
"structure_string": "Ba2 Fe4 P4 O14 F4\n1.0\n4.587583 0.000000 0.000000\n0.000000 6.929157 0.000000\n0.000000 0.000000 11.844402\nBa Fe P O F\n2 4 4 14 4\ndirect\n0.381628 0.000000 0.000000 Ba\n0.618372 0.500000 0.500000 Ba\n0.000000 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 Fe\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.512426 0.000000 0.374871 P\n0.487574 0.500000 0.874871 P\n0.512426 0.000000 0.625129 P\n0.487574 0.500000 0.125129 P\n0.249347 0.000000 0.704195 O\n0.750652 0.500000 0.795805 O\n0.367339 0.000000 0.500000 O\n0.632660 0.500000 0.000000 O\n0.306432 0.684128 0.865838 O\n0.306432 0.315872 0.134162 O\n0.693567 0.184128 0.365838 O\n0.306432 0.315872 0.865838 O\n0.249347 0.000000 0.295805 O\n0.693567 0.815872 0.365838 O\n0.693567 0.815872 0.634162 O\n0.306432 0.684128 0.134162 O\n0.750652 0.500000 0.204195 O\n0.693567 0.184128 0.634162 O\n0.864244 0.000000 0.864552 F\n0.135755 0.500000 0.635448 F\n0.135755 0.500000 0.364552 F\n0.864244 0.000000 0.135448 F\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"P",
"O",
"F"
],
"chemical_system": "Ba-F-Fe-O-P",
"density": 4.0659511368506065,
"density_atomic": 0.07436705031388613,
"volume": 376.51083217390595,
"volume_molar": 8.097861532199994,
"formula_full": "Ba2 Fe4 P4 O14 F4",
"formula_reduced": "BaFe2P2O7F2",
"formula_anonymous": "AB2C2D2E7",
"energy_above_hull": 2.4062645025,
"spacegroup": 59
},
{
"id": "jvasp-51071",
"created_at": "2022-09-04T14:38:33.795522Z",
"updated_at": "2022-09-04T14:38:33.795548Z",
"structure_string": "Ba4 Co2 Se4 Cl4 O12\n1.0\n5.397051 0.000000 0.000000\n0.000000 6.814531 -0.000000\n0.000000 -0.000000 12.639098\nBa Co Se Cl O\n4 2 4 4 12\ndirect\n0.500000 0.697584 0.731733 Ba\n0.500000 0.302416 0.268267 Ba\n0.000000 0.197584 0.768267 Ba\n0.000000 0.802416 0.231733 Ba\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.757548 0.429994 Se\n0.500000 0.242452 0.570006 Se\n0.000000 0.257548 0.070006 Se\n0.000000 0.742452 0.929994 Se\n0.000000 0.177282 0.398089 Cl\n0.000000 0.822717 0.601911 Cl\n0.500000 0.322717 0.898089 Cl\n0.500000 0.677282 0.101911 Cl\n0.257681 0.399613 0.607316 O\n0.757681 0.100387 0.107316 O\n0.000000 0.585272 0.825482 O\n0.257681 0.600387 0.392684 O\n0.000000 0.414728 0.174518 O\n0.742319 0.600387 0.392684 O\n0.742319 0.399613 0.607316 O\n0.242319 0.899613 0.892685 O\n0.242319 0.100387 0.107316 O\n0.500000 0.914728 0.325482 O\n0.500000 0.085272 0.674518 O\n0.757681 0.899613 0.892685 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ba",
"Co",
"Se",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Co-O-Se",
"density": 4.703993030081715,
"density_atomic": 0.055932569789328125,
"volume": 464.8454397487879,
"volume_molar": 10.766787191581924,
"formula_full": "Ba4 Co2 Se4 Cl4 O12",
"formula_reduced": "Ba2CoSe2(ClO3)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 1.7786445160256408,
"spacegroup": 58
},
{
"id": "jvasp-57071",
"created_at": "2022-09-04T14:37:40.437075Z",
"updated_at": "2022-09-04T14:37:40.437100Z",
"structure_string": "Ba1 Pb2 C2 O6 F2\n1.0\n4.924220 -0.022563 6.705105\n2.181344 4.414768 6.705105\n-0.036502 -0.022563 8.318956\nBa Pb C O F\n1 2 2 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.214478 0.214479 0.214478 Pb\n0.785521 0.785523 0.785523 Pb\n0.431161 0.431162 0.431162 C\n0.568838 0.568840 0.568839 C\n0.719179 0.288600 0.288600 O\n0.280820 0.711402 0.711401 O\n0.288599 0.288600 0.719179 O\n0.711400 0.711402 0.280822 O\n0.711400 0.280822 0.711401 O\n0.288599 0.719180 0.288600 O\n0.311364 0.311365 0.311365 F\n0.688635 0.688637 0.688636 F\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Pb",
"C",
"O",
"F"
],
"chemical_system": "Ba-C-F-O-Pb",
"density": 6.448689705972522,
"density_atomic": 0.0711320737395269,
"volume": 182.7586251400979,
"volume_molar": 8.466139736136494,
"formula_full": "Ba1 Pb2 C2 O6 F2",
"formula_reduced": "BaPb2C2(O3F)2",
"formula_anonymous": "AB2C2D2E6",
"energy_above_hull": 2.342168398076922,
"spacegroup": 166
}
]
}