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=-nelements&page=180",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=178",
"results": [
{
"id": "jvasp-35739",
"created_at": "2022-09-04T14:37:19.253518Z",
"updated_at": "2022-09-04T14:37:19.253538Z",
"structure_string": "Ca1 Ga1 Si1 H1\n1.0\n2.042891 -3.538392 0.000000\n2.042891 3.538392 -0.000000\n0.000000 0.000000 4.762994\nCa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.003145 Ca\n0.666667 0.333333 0.558160 Ga\n0.333333 0.666667 0.432122 Si\n0.666667 0.333333 0.928362 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"Si",
"H"
],
"chemical_system": "Ca-Ga-H-Si",
"density": 3.349444522473749,
"density_atomic": 0.05808965827319942,
"volume": 68.85907266294701,
"volume_molar": 10.366975704483375,
"formula_full": "Ca1 Ga1 Si1 H1",
"formula_reduced": "CaGaSiH",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.09940533625,
"spacegroup": 156
},
{
"id": "jvasp-59628",
"created_at": "2022-09-04T14:37:33.383762Z",
"updated_at": "2022-09-04T14:37:33.383791Z",
"structure_string": "Tl3 Ir1 N6 O12\n1.0\n6.857030 -0.000000 3.958908\n2.285677 6.464870 3.958908\n-0.000000 -0.000000 7.917817\nTl Ir N O\n3 1 6 12\ndirect\n0.500000 0.500000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Ir\n0.821224 0.821224 0.178777 N\n0.178777 0.821224 0.178776 N\n0.178776 0.178776 0.821224 N\n0.821224 0.178776 0.821224 N\n0.178777 0.821224 0.821224 N\n0.821224 0.178776 0.178777 N\n0.418371 0.000000 0.581629 O\n0.000000 0.418371 0.581629 O\n0.000000 0.000000 0.581629 O\n0.000000 0.581629 0.000000 O\n0.000000 0.581629 0.418371 O\n0.418371 0.000000 0.000000 O\n0.000000 0.418371 0.000000 O\n0.581629 0.000000 0.418372 O\n0.581629 0.418371 0.000000 O\n0.418371 0.581629 0.000000 O\n0.581629 0.000000 0.000000 O\n0.000000 0.000000 0.418371 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Tl",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Tl",
"density": 5.116042185054358,
"density_atomic": 0.06267890130460835,
"volume": 350.9953037160607,
"volume_molar": 9.607923295804857,
"formula_full": "Tl3 Ir1 N6 O12",
"formula_reduced": "Tl3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.656840472727272,
"spacegroup": 225
},
{
"id": "jvasp-35356",
"created_at": "2022-09-04T14:37:29.226051Z",
"updated_at": "2022-09-04T14:37:29.226084Z",
"structure_string": "U1 B2 Rh2 C1\n1.0\n3.784198 -0.000000 -0.000000\n-0.000000 3.784198 -0.000000\n-1.892098 -1.892098 5.147784\nU B Rh C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 U\n0.145537 0.145537 0.291074 B\n0.854463 0.854463 0.708925 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.000000 0.000000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"U",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Rh-U",
"density": 10.755473674088579,
"density_atomic": 0.08139228312369907,
"volume": 73.7170622291215,
"volume_molar": 7.39890875262415,
"formula_full": "U1 B2 Rh2 C1",
"formula_reduced": "UB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 4.866836194444445,
"spacegroup": 139
},
{
"id": "jvasp-21819",
"created_at": "2022-09-04T14:37:29.212597Z",
"updated_at": "2022-09-04T14:37:29.212625Z",
"structure_string": "Ba2 Yb1 Ru1 O6\n1.0\n5.107932 -0.000000 2.949066\n1.702644 4.815805 2.949066\n-0.000000 0.000000 5.898132\nYb Ba Ru O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 Yb\n0.749999 0.749999 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ru\n0.231281 0.768718 0.768720 O\n0.231281 0.768718 0.231282 O\n0.768718 0.231281 0.768719 O\n0.231281 0.231281 0.768719 O\n0.768718 0.231281 0.231282 O\n0.768718 0.768718 0.231283 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Yb",
"density": 7.379364546445636,
"density_atomic": 0.06892416474927206,
"volume": 145.0869957782929,
"volume_molar": 8.737343110224055,
"formula_full": "Ba2 Yb1 Ru1 O6",
"formula_reduced": "Ba2YbRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.866493414,
"spacegroup": 225
},
{
"id": "jvasp-10574",
"created_at": "2022-09-04T14:37:19.233161Z",
"updated_at": "2022-09-04T14:37:19.233184Z",
"structure_string": "Ta2 Tl2 Cu4 S8\n1.0\n5.303715 0.000000 -1.619082\n0.000000 7.380482 0.000000\n0.013787 -0.000000 9.541542\nTa Tl Cu S\n2 2 4 8\ndirect\n0.389828 0.250000 0.772958 Ta\n0.616870 0.750000 0.227042 Ta\n0.449859 0.250000 0.364122 Tl\n0.085737 0.750000 0.635878 Tl\n0.111836 0.750000 0.216845 Cu\n0.526681 0.000000 0.000000 Cu\n0.894992 0.250000 0.783156 Cu\n0.526681 0.500000 0.000000 Cu\n0.638474 0.503791 0.782260 S\n0.856215 0.496209 0.217741 S\n0.638474 -0.003791 0.782260 S\n0.856215 0.003791 0.217741 S\n0.038874 0.250000 0.573619 S\n0.272614 0.750000 0.015208 S\n0.257408 0.250000 0.984792 S\n0.465256 0.750000 0.426382 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ta",
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ta-Tl",
"density": 5.694392764438989,
"density_atomic": 0.04281983464217412,
"volume": 373.6586125029375,
"volume_molar": 14.06390475424366,
"formula_full": "Ta2 Tl2 Cu4 S8",
"formula_reduced": "TaTl(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7778215874999996,
"spacegroup": 40
},
{
"id": "jvasp-9783",
"created_at": "2022-09-04T14:37:08.650907Z",
"updated_at": "2022-09-04T14:37:08.650931Z",
"structure_string": "Li4 Ti2 Si2 O10\n1.0\n6.481671 0.000000 0.000000\n0.000000 6.481671 -0.000000\n0.000000 -0.000000 4.400459\nLi Ti Si O\n4 2 2 10\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.900099 Ti\n0.500000 0.000000 0.099901 Ti\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.794730 0.000000 0.219944 O\n0.500000 0.705270 0.219944 O\n0.500000 0.294730 0.219944 O\n0.205270 0.000000 0.219944 O\n0.000000 0.500000 0.292576 O\n0.000000 0.794730 0.780056 O\n0.500000 0.000000 0.707424 O\n0.294730 0.500000 0.780056 O\n0.000000 0.205270 0.780056 O\n0.705270 0.500000 0.780056 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.050881879111672,
"density_atomic": 0.09736448251380779,
"volume": 184.87234292491948,
"volume_molar": 6.1851515095825285,
"formula_full": "Li4 Ti2 Si2 O10",
"formula_reduced": "Li2TiSiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.359214937037037,
"spacegroup": 129
},
{
"id": "jvasp-42386",
"created_at": "2022-09-04T14:37:29.295990Z",
"updated_at": "2022-09-04T14:37:29.296019Z",
"structure_string": "Li3 Fe2 Cu2 O8\n1.0\n-5.501738 0.002885 0.093767\n-0.003201 -5.503642 -0.012725\n2.627020 2.739529 4.632583\nLi Fe Cu O\n3 2 2 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000001 0.000000 Cu\n0.282198 0.270179 0.540346 O\n0.262459 0.747231 0.494462 O\n0.702602 0.182863 0.907305 O\n0.702610 0.724450 0.907315 O\n0.297390 0.275550 0.092684 O\n0.297398 0.817137 0.092694 O\n0.737541 0.252769 0.505537 O\n0.717802 0.729821 0.459653 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.550654030620059,
"density_atomic": 0.10605520507442648,
"volume": 141.43577384507844,
"volume_molar": 5.678307590630593,
"formula_full": "Li3 Fe2 Cu2 O8",
"formula_reduced": "Li3Fe2(CuO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.172489993333334,
"spacegroup": 12
},
{
"id": "jvasp-85234",
"created_at": "2022-09-04T14:37:19.209742Z",
"updated_at": "2022-09-04T14:37:19.209753Z",
"structure_string": "Ba4 Ge2 Te4 Se4\n1.0\n7.242291 0.000000 0.000000\n0.000000 7.153801 -2.328902\n0.000000 -0.013177 9.304047\nBa Ge Te Se\n4 2 4 4\ndirect\n0.250000 0.225182 0.054753 Ba\n0.250000 0.224171 0.557403 Ba\n0.750000 0.775828 0.442598 Ba\n0.750000 0.774818 0.945247 Ba\n0.250000 0.783345 0.696350 Ge\n0.750000 0.216654 0.303650 Ge\n0.250000 0.609609 0.900643 Te\n0.250000 0.610495 0.405418 Te\n0.750000 0.389505 0.594583 Te\n0.750000 0.390390 0.099357 Te\n0.505260 -0.004064 0.751273 Se\n0.005260 0.004064 0.248727 Se\n0.494740 0.004064 0.248727 Se\n0.994740 -0.004064 0.751273 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ge",
"Te",
"Se"
],
"chemical_system": "Ba-Ge-Se-Te",
"density": 5.241369271079173,
"density_atomic": 0.029056519837272487,
"volume": 481.8195736586935,
"volume_molar": 20.725609239256006,
"formula_full": "Ba4 Ge2 Te4 Se4",
"formula_reduced": "Ba2Ge(TeSe)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.6189500223809523,
"spacegroup": 11
},
{
"id": "jvasp-11205",
"created_at": "2022-09-04T14:37:08.363479Z",
"updated_at": "2022-09-04T14:37:08.363499Z",
"structure_string": "K4 V2 Ag2 Se8\n1.0\n5.784994 0.000000 1.495648\n2.892497 6.628176 0.747824\n0.023245 0.000000 11.845759\nK V Ag Se\n4 2 2 8\ndirect\n0.942084 0.750001 0.115831 K\n0.307915 0.750001 0.384169 K\n0.057914 0.250000 0.884169 K\n0.692084 0.250000 0.615831 K\n0.124999 0.750000 0.750000 V\n0.874999 0.250000 0.250000 V\n0.624999 0.750000 0.750000 Ag\n0.375000 0.250000 0.250000 Ag\n0.248398 0.039816 0.129705 Se\n0.378102 0.539817 0.870295 Se\n0.621897 0.460184 0.129705 Se\n0.917918 0.460184 0.370295 Se\n0.711785 0.039816 0.370295 Se\n0.082080 0.539817 0.629705 Se\n0.751601 0.960184 0.870295 Se\n0.288214 0.960184 0.629705 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Ag",
"Se"
],
"chemical_system": "Ag-K-Se-V",
"density": 4.044306401944654,
"density_atomic": 0.0352436218710286,
"volume": 453.9828527996017,
"volume_molar": 17.08717901365976,
"formula_full": "K4 V2 Ag2 Se8",
"formula_reduced": "K2VAgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0229513658333331,
"spacegroup": 70
},
{
"id": "jvasp-9794",
"created_at": "2022-09-04T14:37:19.203699Z",
"updated_at": "2022-09-04T14:37:19.203724Z",
"structure_string": "K4 Li2 Al2 P4\n1.0\n5.699446 0.000000 -2.187648\n-0.850306 5.651642 -2.215288\n0.004479 0.020183 8.529834\nK Li Al P\n4 2 2 4\ndirect\n0.824470 0.098666 0.648938 K\n0.175530 0.901334 0.351060 K\n0.675531 0.449727 0.351061 K\n0.324469 0.550272 0.648938 K\n0.250000 0.500000 -0.000000 Li\n0.750000 0.500000 -0.000000 Li\n0.250000 -0.000000 -0.000000 Al\n0.750001 -0.000000 -0.000000 Al\n0.910036 0.686999 0.820073 P\n0.410037 0.133074 0.820073 P\n0.589964 0.866926 0.179926 P\n0.089964 0.313000 0.179926 P\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Li",
"Al",
"P"
],
"chemical_system": "Al-K-Li-P",
"density": 2.101345694948949,
"density_atomic": 0.043619838660969704,
"volume": 275.104181225168,
"volume_molar": 13.805967525020927,
"formula_full": "K4 Li2 Al2 P4",
"formula_reduced": "K2LiAlP2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.0699649666666666,
"spacegroup": 72
},
{
"id": "jvasp-38012",
"created_at": "2022-09-04T14:37:28.797270Z",
"updated_at": "2022-09-04T14:37:28.797298Z",
"structure_string": "Ba3 Si6 N2 O12\n1.0\n6.529272 -0.000375 -0.000125\n0.000585 7.567935 0.000202\n0.000447 3.783755 6.554230\nBa Si N O\n3 6 2 12\ndirect\n0.895293 0.333337 0.333334 Ba\n0.104707 0.666664 0.666665 Ba\n0.000000 0.000000 0.000000 Ba\n0.611349 0.764042 0.829379 Si\n0.611352 0.829372 0.406594 Si\n0.611350 0.406587 0.764031 Si\n0.388652 0.235959 0.170620 Si\n0.388649 0.170630 0.593405 Si\n0.388650 0.593414 0.235968 Si\n0.434459 0.333334 0.333325 N\n0.565542 0.666667 0.666674 N\n0.591439 0.016056 0.682152 O\n0.408561 0.698223 0.983953 O\n0.408558 0.317860 0.698189 O\n0.408562 0.983945 0.317847 O\n0.829547 0.360587 0.698762 O\n0.170455 0.301226 0.059355 O\n0.829546 0.698775 0.940644 O\n0.170453 0.639414 0.301237 O\n0.170453 0.059363 0.639407 O\n0.591443 0.682141 0.301810 O\n0.829548 0.940638 0.360592 O\n0.591440 0.301778 0.016046 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 4.104435170045593,
"density_atomic": 0.07101836900047888,
"volume": 323.85987349054597,
"volume_molar": 8.479694542068959,
"formula_full": "Ba3 Si6 N2 O12",
"formula_reduced": "Ba3Si6(NO6)2",
"formula_anonymous": "A2B3C6D12",
"energy_above_hull": 3.0477390439130434,
"spacegroup": 147
},
{
"id": "jvasp-9987",
"created_at": "2022-09-04T14:37:19.198666Z",
"updated_at": "2022-09-04T14:37:19.198698Z",
"structure_string": "Ba2 Y1 Ta1 O6\n1.0\n5.209291 -0.000000 3.007586\n1.736431 4.911366 3.007586\n-0.000000 -0.000000 6.015171\nBa Y Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Ta\n0.263738 0.736263 0.736263 O\n0.263738 0.736263 0.263738 O\n0.736262 0.263738 0.736263 O\n0.263738 0.263738 0.736262 O\n0.736262 0.263738 0.263738 O\n0.736262 0.736263 0.263739 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Y",
"density": 6.911019779356469,
"density_atomic": 0.0649787128161242,
"volume": 153.89655421919255,
"volume_molar": 9.267867119869495,
"formula_full": "Ba2 Y1 Ta1 O6",
"formula_reduced": "Ba2YTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4824897589999995,
"spacegroup": 225
}
]
}