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=-volume&page=108",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=106",
"results": [
{
"id": "jvasp-81285",
"created_at": "2022-09-04T14:37:18.749564Z",
"updated_at": "2022-09-04T14:37:18.749589Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-8.755180 -0.000000 -5.054805\n-8.388286 -0.035588 4.419327\n-5.697712 7.574504 -0.240884\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741250 -0.000000 -0.000000 Zn\n0.258750 -0.000000 -0.000000 Zn\n0.500000 -0.000000 -0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5433681315251394,
"density_atomic": 0.006502052852484338,
"volume": 615.1903238485149,
"volume_molar": 92.61906811014354,
"formula_full": "Li1 Zn2 Cu1",
"formula_reduced": "LiZn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-76948",
"created_at": "2022-09-04T14:38:13.120896Z",
"updated_at": "2022-09-04T14:38:13.120918Z",
"structure_string": "Li1 Zn2 Cu1\n1.0\n-8.754848 -0.000000 -5.054614\n-8.387936 -0.035588 4.419105\n-5.697485 7.574158 -0.240894\nLi Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.741249 0.000000 0.000000 Zn\n0.258750 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cu"
],
"chemical_system": "Cu-Li-Zn",
"density": 0.5434383649148466,
"density_atomic": 0.006502893279416636,
"volume": 615.1108173128183,
"volume_molar": 92.60709812141093,
"formula_full": "Li1 Zn2 Cu1",
"formula_reduced": "LiZn2Cu",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.999999999977245e-06,
"spacegroup": 71
},
{
"id": "jvasp-119506",
"created_at": "2022-09-04T14:38:51.487459Z",
"updated_at": "2022-09-04T14:38:51.487485Z",
"structure_string": "Ca8 Yb3 Se12\n1.0\n5.889571 0.000000 0.000000\n0.000000 5.889571 0.000000\n-0.000000 -0.000000 17.730016\nYb Ca Se\n3 8 12\ndirect\n-0.000000 0.500000 0.164703 Yb\n0.500000 0.500000 -0.000000 Yb\n0.500000 -0.000000 0.835297 Yb\n0.000000 0.000000 0.331701 Ca\n-0.000000 0.500000 0.499890 Ca\n0.000000 0.000000 0.668299 Ca\n-0.000000 0.500000 0.836238 Ca\n0.500000 -0.000000 0.163762 Ca\n0.500000 0.500000 0.332233 Ca\n0.500000 -0.000000 0.500111 Ca\n0.500000 0.500000 0.667767 Ca\n-0.000000 0.500000 0.666880 Se\n0.500000 -0.000000 0.999046 Se\n0.500000 0.500000 0.833840 Se\n0.000000 0.000000 0.500000 Se\n-0.000000 0.500000 0.332566 Se\n0.500000 0.500000 0.166160 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.165990 Se\n0.500000 -0.000000 0.333120 Se\n0.000000 0.000000 0.834011 Se\n0.500000 -0.000000 0.667434 Se\n-0.000000 0.500000 0.000954 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Se"
],
"chemical_system": "Ca-Se-Yb",
"density": 4.825711497507305,
"density_atomic": 0.0373982590176489,
"volume": 615.001890573192,
"volume_molar": 16.102730229121214,
"formula_full": "Ca8 Yb3 Se12",
"formula_reduced": "Ca8(YbSe4)3",
"formula_anonymous": "A3B8C12",
"energy_above_hull": 0.5138432982608696,
"spacegroup": 115
},
{
"id": "jvasp-116688",
"created_at": "2022-09-04T14:38:33.027557Z",
"updated_at": "2022-09-04T14:38:33.027594Z",
"structure_string": "La6 Ga2 Cu2 Se14\n1.0\n10.698348 0.000000 0.000000\n-5.349175 9.265041 0.000000\n0.000000 -0.000000 6.204147\nLa Ga Cu Se\n6 2 2 14\ndirect\n0.139869 0.774758 0.082620 La\n0.225242 0.365111 0.082620 La\n0.634889 0.860131 0.082620 La\n0.860131 0.225242 0.582620 La\n0.774758 0.634889 0.582620 La\n0.365111 0.139869 0.582620 La\n0.333333 0.666667 0.495281 Ga\n0.666667 0.333333 0.995282 Ga\n0.000000 0.000000 0.108053 Cu\n0.000000 0.000000 0.608054 Cu\n0.572802 0.090109 0.848563 Se\n0.482692 0.572802 0.348563 Se\n0.090108 0.517308 0.348563 Se\n0.427198 0.909891 0.348563 Se\n0.666667 0.333333 0.380966 Se\n0.333333 0.666667 0.880966 Se\n0.901832 0.157013 0.096470 Se\n0.098168 0.842987 0.596471 Se\n0.744818 0.901832 0.596471 Se\n0.842987 0.744819 0.096470 Se\n0.909891 0.482692 0.848563 Se\n0.255181 0.098168 0.096470 Se\n0.157013 0.255181 0.596471 Se\n0.517308 0.427198 0.848563 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-La-Se",
"density": 5.955146541131038,
"density_atomic": 0.03902699350628375,
"volume": 614.9589769484999,
"volume_molar": 15.430706336706091,
"formula_full": "La6 Ga2 Cu2 Se14",
"formula_reduced": "La3GaCuSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3506817784722218,
"spacegroup": 173
},
{
"id": "jvasp-20116",
"created_at": "2022-09-04T14:38:40.003365Z",
"updated_at": "2022-09-04T14:38:40.003392Z",
"structure_string": "Tb16 O24\n1.0\n8.747893 0.000000 -3.092847\n-4.373947 7.575898 -3.092847\n-0.000000 -0.000000 9.278542\nTb O\n16 24\ndirect\n0.499982 0.499983 0.499982 Tb\n0.750000 0.782007 0.032006 Tb\n0.467993 0.250000 0.717993 Tb\n0.717993 0.467994 0.250000 Tb\n0.032006 0.750000 0.782006 Tb\n0.782006 0.032007 0.749999 Tb\n0.750000 0.282018 0.532018 Tb\n0.250000 0.717994 0.467993 Tb\n0.217982 0.967982 0.250000 Tb\n0.532018 0.750000 0.282018 Tb\n0.282018 0.532018 0.750000 Tb\n0.250000 0.217982 0.967981 Tb\n0.000017 0.500000 -0.000000 Tb\n0.500000 -0.000000 0.000017 Tb\n0.967981 0.250000 0.217981 Tb\n0.000000 0.000017 0.500000 Tb\n0.270550 0.739948 0.227988 O\n0.229449 0.457438 0.469397 O\n0.011960 0.042563 0.272012 O\n0.030603 0.488041 0.760052 O\n0.729469 0.260065 0.772031 O\n0.227988 0.270551 0.739947 O\n0.988033 0.957437 0.727967 O\n0.511967 0.239935 0.969404 O\n0.542563 0.530595 0.770530 O\n0.530595 0.770531 0.542563 O\n0.772031 0.729470 0.260064 O\n0.957436 0.727968 0.988032 O\n0.969404 0.511967 0.239934 O\n0.488040 0.760053 0.030603 O\n0.260065 0.772032 0.729469 O\n0.239935 0.969405 0.511966 O\n0.770530 0.542563 0.530595 O\n0.042563 0.272012 0.011960 O\n0.760052 0.030603 0.488040 O\n0.739947 0.227988 0.270550 O\n0.469397 0.229449 0.457437 O\n0.457437 0.469397 0.229449 O\n0.727968 0.988034 0.957436 O\n0.272012 0.011960 0.042562 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tb",
"O"
],
"chemical_system": "O-Tb",
"density": 7.903573910391188,
"density_atomic": 0.06504930671089576,
"volume": 614.918160123911,
"volume_molar": 9.257809290366028,
"formula_full": "Tb16 O24",
"formula_reduced": "Tb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.38802346,
"spacegroup": 206
},
{
"id": "jvasp-23724",
"created_at": "2022-09-04T14:37:34.093415Z",
"updated_at": "2022-09-04T14:37:34.093441Z",
"structure_string": "Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ti",
"Sb"
],
"chemical_system": "Sb-Ti",
"density": 6.531187061632465,
"density_atomic": 0.05204201394756492,
"volume": 614.8878103034539,
"volume_molar": 11.57169045392368,
"formula_full": "Ti20 Sb12",
"formula_reduced": "Ti5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.4320537458333336,
"spacegroup": 62
},
{
"id": "jvasp-120483",
"created_at": "2022-09-04T14:38:53.019530Z",
"updated_at": "2022-09-04T14:38:53.019558Z",
"structure_string": "Er16 Mg4 Rh4\n1.0\n8.265412 -0.000000 4.772038\n2.755137 7.792705 4.772038\n-0.000000 -0.000000 9.544076\nEr Mg Rh\n16 4 4\ndirect\n0.347016 0.347017 0.347017 Er\n0.934595 0.934595 0.565406 Er\n0.565405 0.565406 0.934595 Er\n0.934595 0.565406 0.934595 Er\n0.565405 0.934595 0.565406 Er\n0.934595 0.565406 0.565406 Er\n0.812402 0.812402 0.187598 Er\n0.187598 0.187598 0.812402 Er\n0.565405 0.934595 0.934595 Er\n0.187598 0.812402 0.187598 Er\n0.187598 0.812402 0.812402 Er\n0.812402 0.187598 0.187599 Er\n0.958949 0.347017 0.347017 Er\n0.347016 0.958950 0.347017 Er\n0.347016 0.347017 0.958950 Er\n0.812402 0.187598 0.812402 Er\n0.579911 0.579912 0.579912 Mg\n0.579911 0.579912 0.260265 Mg\n0.579911 0.260265 0.579912 Mg\n0.260265 0.579912 0.579912 Mg\n0.141731 0.574808 0.141731 Rh\n0.141731 0.141731 0.141731 Rh\n0.141731 0.141731 0.574808 Rh\n0.574807 0.141731 0.141731 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Rh"
],
"chemical_system": "Er-Mg-Rh",
"density": 8.603397596730892,
"density_atomic": 0.039041330562581224,
"volume": 614.7331470050501,
"volume_molar": 15.425039754592436,
"formula_full": "Er16 Mg4 Rh4",
"formula_reduced": "Er4MgRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3150236750000002,
"spacegroup": 216
},
{
"id": "jvasp-29400",
"created_at": "2022-09-04T14:37:57.825598Z",
"updated_at": "2022-09-04T14:37:57.825617Z",
"structure_string": "Y4 Te10 O26\n1.0\n6.961686 -0.002690 0.369834\n2.225428 8.356790 0.130833\n-0.018483 -0.018918 10.560326\nY Te O\n4 10 26\ndirect\n0.998367 0.736390 0.238397 Y\n0.001634 0.263609 0.761603 Y\n0.554226 0.529141 0.179585 Y\n0.445775 0.470858 0.820415 Y\n0.726316 0.606794 0.520531 Te\n0.874978 0.653957 0.892827 Te\n0.566110 0.091185 0.695220 Te\n0.125024 0.346043 0.107173 Te\n0.709350 0.117282 0.029047 Te\n0.433892 0.908815 0.304779 Te\n0.843416 0.197231 0.367087 Te\n0.290652 0.882717 0.970953 Te\n0.273685 0.393206 0.479469 Te\n0.156585 0.802769 0.632912 Te\n0.686957 0.262264 0.710479 O\n0.661645 0.488185 0.385285 O\n0.933506 0.732185 0.718022 O\n0.878504 0.511666 0.107665 O\n0.059852 0.017373 0.684772 O\n0.058941 0.820693 0.034462 O\n0.941061 0.179307 0.965538 O\n0.668506 0.780517 0.223319 O\n0.538503 0.810225 0.486838 O\n0.533266 0.325164 0.002529 O\n0.338356 0.511815 0.614714 O\n0.466735 0.674836 0.997470 O\n0.121497 0.488334 0.892334 O\n0.331495 0.219483 0.776681 O\n0.238182 0.495009 0.186601 O\n0.655494 0.009251 0.875358 O\n0.066495 0.267815 0.281977 O\n0.761820 0.504990 0.813399 O\n0.940149 0.982626 0.315228 O\n0.328456 0.743028 0.770144 O\n0.955623 0.650792 0.437600 O\n0.044378 0.349208 0.562400 O\n0.313045 0.737736 0.289520 O\n0.461499 0.189774 0.513161 O\n0.671546 0.256972 0.229855 O\n0.344508 0.990749 0.124641 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Te",
"O"
],
"chemical_system": "O-Te-Y",
"density": 5.533225742887115,
"density_atomic": 0.06509423199508636,
"volume": 614.4937696326059,
"volume_molar": 9.251419942176417,
"formula_full": "Y4 Te10 O26",
"formula_reduced": "Y2Te5O13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 2.5430592616666665,
"spacegroup": 2
},
{
"id": "jvasp-97643",
"created_at": "2022-09-04T14:36:15.670713Z",
"updated_at": "2022-09-04T14:36:15.670738Z",
"structure_string": "Ho16 In4 Rh4\n1.0\n8.264214 0.000000 4.771346\n2.754738 7.791576 4.771346\n0.000000 0.000000 9.542693\nHo In Rh\n16 4 4\ndirect\n0.062314 0.437686 0.437686 Ho\n0.650036 0.049890 0.650037 Ho\n0.650036 0.650037 0.650037 Ho\n0.437686 0.437686 0.062314 Ho\n0.189592 0.810409 0.810408 Ho\n0.049890 0.650037 0.650037 Ho\n0.437686 0.062314 0.062314 Ho\n0.189592 0.810409 0.189592 Ho\n0.189592 0.189592 0.810408 Ho\n0.810408 0.810409 0.189592 Ho\n0.062314 0.437686 0.062314 Ho\n0.437686 0.062314 0.437686 Ho\n0.810408 0.189592 0.189592 Ho\n0.810408 0.189592 0.810409 Ho\n0.650036 0.650037 0.049890 Ho\n0.062314 0.062314 0.437686 Ho\n0.416497 0.750510 0.416497 In\n0.416497 0.416497 0.750509 In\n0.750509 0.416497 0.416497 In\n0.416497 0.416497 0.416497 In\n0.427279 0.857574 0.857574 Rh\n0.857573 0.857574 0.857574 Rh\n0.857573 0.427279 0.857574 Rh\n0.857573 0.857574 0.427279 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ho",
"In",
"Rh"
],
"chemical_system": "Ho-In-Rh",
"density": 9.484863067349494,
"density_atomic": 0.03905830780643075,
"volume": 614.4659445806437,
"volume_molar": 15.418335043712483,
"formula_full": "Ho16 In4 Rh4",
"formula_reduced": "Ho4InRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3817675394444442,
"spacegroup": 216
},
{
"id": "jvasp-62223",
"created_at": "2022-09-04T14:35:49.830505Z",
"updated_at": "2022-09-04T14:35:49.830525Z",
"structure_string": "Rb4 Cd10 As8\n1.0\n3.866204 -6.288007 0.000000\n3.866204 6.288007 0.000000\n-0.000000 0.000000 12.630318\nRb Cd As\n4 10 8\ndirect\n0.792902 0.207097 0.500000 Rb\n0.207097 0.792902 0.500000 Rb\n0.792902 0.207097 0.000000 Rb\n0.207097 0.792902 0.000000 Rb\n0.994011 0.994011 0.250000 Cd\n0.005988 0.005988 0.750000 Cd\n0.347740 0.347740 0.104539 Cd\n0.652259 0.652259 0.604539 Cd\n0.347740 0.347740 0.395461 Cd\n0.652259 0.652259 0.895461 Cd\n0.469677 0.765988 0.250000 Cd\n0.530322 0.234011 0.750000 Cd\n0.234011 0.530322 0.750000 Cd\n0.765988 0.469677 0.250000 Cd\n0.724519 0.724519 0.101103 As\n0.275480 0.275480 0.601103 As\n0.724519 0.724519 0.398897 As\n0.275480 0.275480 0.898897 As\n0.404220 0.092404 0.250000 As\n0.595779 0.907595 0.750000 As\n0.092404 0.404220 0.250000 As\n0.907595 0.595779 0.750000 As\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"As"
],
"chemical_system": "As-Cd-Rb",
"density": 5.58472167900751,
"density_atomic": 0.03582453959450261,
"volume": 614.104193634242,
"volume_molar": 16.810099524416824,
"formula_full": "Rb4 Cd10 As8",
"formula_reduced": "Rb2Cd5As4",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-14127",
"created_at": "2022-09-04T14:38:11.024017Z",
"updated_at": "2022-09-04T14:38:11.024036Z",
"structure_string": "S8 Cl16\n1.0\n3.999935 0.000000 0.000000\n0.000000 9.090188 0.000000\n0.000000 0.000000 16.884987\nS Cl\n8 16\ndirect\n0.239044 0.301735 0.308156 S\n0.739045 0.198265 0.691844 S\n0.760957 0.801736 0.191844 S\n0.260956 0.698265 0.808156 S\n0.629617 0.289174 0.144136 S\n0.129616 0.210826 0.855864 S\n0.370385 0.789174 0.355864 S\n0.870385 0.710826 0.644136 S\n0.926872 0.368229 0.926376 Cl\n0.426871 0.131771 0.073624 Cl\n0.025715 0.521674 0.590496 Cl\n0.525715 0.978326 0.409504 Cl\n0.974287 0.021674 0.909504 Cl\n0.474286 0.478326 0.090496 Cl\n0.440289 0.501777 0.765611 Cl\n0.470051 0.706156 0.920447 Cl\n0.559713 0.001777 0.734389 Cl\n0.059712 0.498223 0.265611 Cl\n0.573130 0.631771 0.426376 Cl\n-0.029950 0.793844 0.079554 Cl\n0.529950 0.206156 0.579554 Cl\n0.029950 0.293844 0.420447 Cl\n0.940289 0.998223 0.234389 Cl\n0.073129 0.868229 0.573624 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"S",
"Cl"
],
"chemical_system": "Cl-S",
"density": 2.2280630943240554,
"density_atomic": 0.03909171392183477,
"volume": 613.9408481293204,
"volume_molar": 15.40515919061896,
"formula_full": "S8 Cl16",
"formula_reduced": "SCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5837327116666668,
"spacegroup": 19
},
{
"id": "jvasp-58833",
"created_at": "2022-09-04T14:37:32.079237Z",
"updated_at": "2022-09-04T14:37:32.079251Z",
"structure_string": "S8 Cl16\n1.0\n4.000067 0.000000 0.000000\n0.000000 9.089453 0.000000\n0.000000 0.000000 16.884043\nS Cl\n8 16\ndirect\n0.238756 0.301468 0.308193 S\n0.738757 0.198532 0.691807 S\n0.761244 0.801468 0.191807 S\n0.261244 0.698531 0.808192 S\n0.629576 0.288925 0.144196 S\n0.129576 0.211075 0.855804 S\n0.370424 0.788925 0.355804 S\n0.870425 0.711075 0.644196 S\n0.926939 0.368418 0.926388 Cl\n0.426939 0.131582 0.073611 Cl\n0.025412 0.521861 0.590543 Cl\n0.525412 0.978139 0.409457 Cl\n0.974589 0.021861 0.909457 Cl\n0.474589 0.478139 0.090543 Cl\n0.440440 0.502009 0.765641 Cl\n0.470574 0.706427 0.920463 Cl\n0.559560 0.002009 0.734359 Cl\n0.059560 0.497991 0.265641 Cl\n0.573062 0.631582 0.426389 Cl\n-0.029427 0.793573 0.079537 Cl\n0.529427 0.206427 0.579537 Cl\n0.029427 0.293573 0.420463 Cl\n0.940441 0.997991 0.234359 Cl\n0.073061 0.868417 0.573611 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"S",
"Cl"
],
"chemical_system": "Cl-S",
"density": 2.228294309992537,
"density_atomic": 0.039095770636740884,
"volume": 613.8771434638409,
"volume_molar": 15.40356069702485,
"formula_full": "S8 Cl16",
"formula_reduced": "SCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5837327116666668,
"spacegroup": 19
}
]
}