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=77",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=75",
"results": [
{
"id": "jvasp-12899",
"created_at": "2022-09-04T14:38:33.425520Z",
"updated_at": "2022-09-04T14:38:33.425546Z",
"structure_string": "Rb4 I12\n1.0\n6.603756 0.000000 0.000000\n0.000000 9.734874 0.000000\n0.000000 0.000000 10.755909\nRb I\n4 12\ndirect\n0.250000 0.474845 0.830617 Rb\n0.750000 0.525154 0.169383 Rb\n0.750000 0.974845 0.669383 Rb\n0.250000 0.025155 0.330617 Rb\n0.250000 0.542730 0.374474 I\n0.750000 0.457269 0.625527 I\n0.750000 0.042730 0.125527 I\n0.250000 0.957269 0.874474 I\n0.250000 0.738896 0.578736 I\n0.750000 0.261104 0.421265 I\n0.750000 0.238896 0.921265 I\n0.250000 0.761103 0.078735 I\n0.250000 0.156523 0.655085 I\n0.750000 0.843477 0.344915 I\n0.750000 0.656522 0.844915 I\n0.250000 0.343477 0.155085 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 4.47811643359675,
"density_atomic": 0.023139368926609744,
"volume": 691.4622456103531,
"volume_molar": 26.02551858307024,
"formula_full": "Rb4 I12",
"formula_reduced": "RbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-63715",
"created_at": "2022-09-04T14:35:47.963522Z",
"updated_at": "2022-09-04T14:35:47.963550Z",
"structure_string": "Al4 Tl4 Cl16\n1.0\n7.005047 -0.000000 0.000000\n-0.000000 9.269492 0.000000\n0.000000 0.000000 10.643140\nAl Tl Cl\n4 4 16\ndirect\n0.750000 0.688160 0.434425 Al\n0.250000 0.188160 0.065575 Al\n0.250000 0.311840 0.565575 Al\n0.750000 0.811840 0.934424 Al\n0.250000 0.704845 0.189761 Tl\n0.750000 0.204845 0.310239 Tl\n0.750000 0.295155 0.810239 Tl\n0.250000 0.795155 0.689761 Tl\n0.250000 0.059228 0.897470 Cl\n0.750000 0.559227 0.602530 Cl\n0.750000 0.940258 0.765555 Cl\n0.250000 0.440258 0.734445 Cl\n0.250000 0.059742 0.234445 Cl\n0.750000 0.559742 0.265555 Cl\n0.498320 0.326370 0.069038 Cl\n0.501680 0.673630 0.930962 Cl\n0.998321 0.673630 0.930962 Cl\n0.001680 0.173630 0.569038 Cl\n0.250000 0.440772 0.397470 Cl\n0.498320 0.173630 0.569038 Cl\n0.001680 0.326370 0.069038 Cl\n0.998321 0.826370 0.430962 Cl\n0.501680 0.826370 0.430962 Cl\n0.750000 0.940772 0.102530 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"Cl"
],
"chemical_system": "Al-Cl-Tl",
"density": 3.586633558219682,
"density_atomic": 0.03472757671237125,
"volume": 691.0934269551354,
"volume_molar": 17.34109123097752,
"formula_full": "Al4 Tl4 Cl16",
"formula_reduced": "AlTlCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0188036116666665,
"spacegroup": 62
},
{
"id": "jvasp-34379",
"created_at": "2022-09-04T14:38:29.786259Z",
"updated_at": "2022-09-04T14:38:29.786287Z",
"structure_string": "Ba6 Hf5 S16\n1.0\n4.965876 0.005309 -0.442689\n-0.044797 4.965678 -0.442689\n-0.005258 -0.005313 28.019596\nBa Hf S\n6 5 16\ndirect\n0.717911 0.717913 0.435840 Ba\n0.367313 0.367314 0.734642 Ba\n0.544432 0.544432 0.088903 Ba\n0.632687 0.632688 0.265358 Ba\n0.455568 0.455569 0.911097 Ba\n0.282089 0.282089 0.564160 Ba\n0.090220 0.090220 0.180481 Hf\n0.181201 0.181201 0.362403 Hf\n0.818799 0.818800 0.637597 Hf\n0.000000 0.000000 0.000000 Hf\n0.909780 0.909781 0.819519 Hf\n-0.000000 0.500000 -0.000000 S\n0.089589 0.589589 0.179191 S\n0.226012 0.226013 0.451913 S\n0.865051 0.865052 0.730174 S\n0.134949 0.134949 0.269826 S\n0.589589 0.089590 0.179191 S\n0.821343 0.321311 0.642624 S\n0.678690 0.178658 0.357377 S\n0.321309 0.821343 0.642624 S\n0.910411 0.410412 0.820809 S\n0.410410 0.910412 0.820809 S\n0.044954 0.044953 0.089908 S\n0.955046 0.955048 0.910092 S\n0.773988 0.773989 0.548087 S\n0.178657 0.678691 0.357377 S\n0.500000 0.000000 -0.000000 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.358230674675099,
"density_atomic": 0.03907850551086309,
"volume": 690.9169029633057,
"volume_molar": 15.410366085586253,
"formula_full": "Ba6 Hf5 S16",
"formula_reduced": "Ba6Hf5S16",
"formula_anonymous": "A5B6C16",
"energy_above_hull": 2.595284104444444,
"spacegroup": 139
},
{
"id": "jvasp-25384",
"created_at": "2022-09-04T14:37:51.097897Z",
"updated_at": "2022-09-04T14:37:51.097910Z",
"structure_string": "Rb8\n1.0\n8.840394 0.000000 -0.000000\n-0.000000 8.840394 -0.000000\n0.000000 -0.000000 8.840394\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250001 0.000000 Rb\n0.500000 0.750001 0.000000 Rb\n0.000000 0.500000 0.250001 Rb\n0.250001 0.000000 0.500000 Rb\n0.750001 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750001 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.643337425741058,
"density_atomic": 0.011579108503329542,
"volume": 690.8994762161199,
"volume_molar": 52.008673709796824,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy_above_hull": 0.0404500000000001,
"spacegroup": 223
},
{
"id": "jvasp-20827",
"created_at": "2022-09-04T14:38:29.780381Z",
"updated_at": "2022-09-04T14:38:29.780417Z",
"structure_string": "Pr6 Sb10 O24\n1.0\n9.091650 -0.000000 -3.214384\n-4.545825 7.873600 -3.214384\n0.000000 0.000000 9.643151\nPr Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Pr\n0.500000 0.750000 0.250001 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.500000 0.250001 Pr\n0.250000 0.500000 0.750000 Pr\n0.750000 0.250000 0.500000 Pr\n0.277642 0.277642 0.000000 Sb\n0.722358 0.722358 0.000001 Sb\n0.000000 0.722358 0.722358 Sb\n0.000000 0.277642 0.277642 Sb\n0.722358 0.000000 0.722358 Sb\n0.508283 0.508282 0.508283 Sb\n0.491718 0.000000 0.000000 Sb\n0.000000 0.491718 0.000000 Sb\n-0.000000 -0.000000 0.491718 Sb\n0.277642 0.000000 0.277642 Sb\n0.486937 0.289493 0.000000 O\n0.289493 0.486937 0.000000 O\n0.000000 0.289493 0.486937 O\n0.000000 0.486937 0.289493 O\n0.196689 0.196689 0.724683 O\n0.486937 0.000000 0.289493 O\n0.472006 0.275317 0.472006 O\n0.275317 0.472006 0.472006 O\n0.000000 0.527994 0.803311 O\n0.527994 -0.000000 0.803311 O\n0.803311 0.000000 0.527994 O\n0.196689 0.724683 0.196689 O\n0.724683 0.196689 0.196689 O\n0.710507 0.197444 0.710507 O\n0.000000 0.803311 0.527994 O\n0.527994 0.803311 0.000001 O\n0.472006 0.472006 0.275318 O\n0.197444 0.710507 0.710507 O\n0.513063 0.513063 0.802556 O\n0.513063 0.802556 0.513063 O\n0.289493 -0.000000 0.486937 O\n0.802556 0.513063 0.513063 O\n0.803311 0.527994 0.000001 O\n0.710507 0.710507 0.197445 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Pr",
"Sb",
"O"
],
"chemical_system": "O-Pr-Sb",
"density": 5.886452365845195,
"density_atomic": 0.05794620091552596,
"volume": 690.2954700742513,
"volume_molar": 10.39264121694377,
"formula_full": "Pr6 Sb10 O24",
"formula_reduced": "Pr3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 2.5418326025,
"spacegroup": 217
},
{
"id": "jvasp-97508",
"created_at": "2022-09-04T14:36:04.098070Z",
"updated_at": "2022-09-04T14:36:04.098094Z",
"structure_string": "V6 Pb10 Cl2 O24\n1.0\n10.443239 0.000001 -0.000000\n-5.221620 9.044110 -0.000000\n0.000000 -0.000000 7.307624\nV Pb Cl O\n6 10 2 24\ndirect\n0.972165 0.589296 0.250000 V\n0.589296 0.617130 0.750000 V\n0.410704 0.382870 0.250000 V\n0.617130 0.027835 0.250000 V\n0.382870 0.972165 0.750000 V\n0.027835 0.410704 0.750000 V\n0.256797 0.018165 0.250000 Pb\n0.333333 0.666667 0.006903 Pb\n0.761368 0.743203 0.250000 Pb\n0.333333 0.666667 0.493097 Pb\n0.018165 0.761368 0.750000 Pb\n0.981835 0.238632 0.250000 Pb\n0.743203 0.981835 0.750000 Pb\n0.666667 0.333333 0.506903 Pb\n0.666667 0.333333 0.993096 Pb\n0.238632 0.256797 0.750000 Pb\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.395471 0.517377 0.750000 O\n0.732406 0.090363 0.061644 O\n0.517377 0.121906 0.250000 O\n0.909637 0.642043 0.061644 O\n0.878094 0.395471 0.250000 O\n0.267594 0.909637 0.938355 O\n0.732406 0.090363 0.438356 O\n0.090363 0.357957 0.938355 O\n0.498995 0.162319 0.750000 O\n0.837681 0.336676 0.750000 O\n0.501005 0.837681 0.250000 O\n0.090363 0.357957 0.561644 O\n0.482623 0.878094 0.750000 O\n0.357957 0.267594 0.061644 O\n0.663324 0.501005 0.750000 O\n0.604529 0.482623 0.250000 O\n0.162319 0.663324 0.250000 O\n0.336676 0.498995 0.250000 O\n0.267594 0.909637 0.561644 O\n0.642043 0.732406 0.938355 O\n0.121906 0.604529 0.750000 O\n0.642043 0.732406 0.561644 O\n0.909637 0.642043 0.438356 O\n0.357957 0.267594 0.438356 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"V",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-V",
"density": 6.814719277898496,
"density_atomic": 0.060851602526510944,
"volume": 690.2036800378766,
"volume_molar": 9.896437414900225,
"formula_full": "V6 Pb10 Cl2 O24",
"formula_reduced": "V3Pb5ClO12",
"formula_anonymous": "AB3C5D12",
"energy_above_hull": 2.518869655595238,
"spacegroup": 176
},
{
"id": "jvasp-13945",
"created_at": "2022-09-04T14:37:03.828343Z",
"updated_at": "2022-09-04T14:37:03.828358Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807010 -6.593936 -0.000000\n3.807010 6.593936 -0.000000\n-0.000000 0.000000 13.744315\nTa Se I\n6 2 14\ndirect\n0.129530 0.870469 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870469 0.740937 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740937 0.870469 0.750260 Ta\n0.870469 0.129530 0.250260 Ta\n0.000000 0.000000 0.888515 Se\n0.000000 0.000000 0.388515 Se\n0.830925 0.661851 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661851 0.830925 0.114310 I\n0.830926 0.169074 0.614310 I\n0.666667 0.333333 0.144112 I\n0.333333 0.666667 0.644112 I\n0.994687 0.497343 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497343 0.502656 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497343 0.994687 0.363389 I\n0.502656 0.497343 0.863389 I\n0.169074 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267967980525745,
"density_atomic": 0.03188165368529483,
"volume": 690.0520348524873,
"volume_molar": 18.88904766184593,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-58951",
"created_at": "2022-09-04T14:38:35.054278Z",
"updated_at": "2022-09-04T14:38:35.054303Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 0.000000\n3.807006 6.593927 -0.000000\n-0.000000 0.000000 13.744327\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979191355699,
"density_atomic": 0.0318817028626989,
"volume": 690.050970449877,
"volume_molar": 18.889018525562545,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-5629",
"created_at": "2022-09-04T14:37:07.416679Z",
"updated_at": "2022-09-04T14:37:07.416705Z",
"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 -0.000000\n3.807006 6.593927 0.000000\n-0.000000 -0.000000 13.744326\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Se",
"I"
],
"chemical_system": "I-Se-Ta",
"density": 7.267979720154215,
"density_atomic": 0.03188170518232541,
"volume": 690.0509202436377,
"volume_molar": 18.889017151248726,
"formula_full": "Ta6 Se2 I14",
"formula_reduced": "Ta3SeI7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.0747413537878785,
"spacegroup": 186
},
{
"id": "jvasp-25790",
"created_at": "2022-09-04T14:37:38.769058Z",
"updated_at": "2022-09-04T14:37:38.769085Z",
"structure_string": "Ga8 Bi4 S16\n1.0\n7.526733 -0.000000 -0.000000\n0.000000 7.526733 -0.000000\n0.000000 0.000000 12.179311\nGa Bi S\n8 4 16\ndirect\n0.000000 0.500000 0.250000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.750000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.000000 0.869206 Bi\n0.500000 0.500000 0.630794 Bi\n0.500000 0.500000 0.369206 Bi\n0.000000 0.000000 0.130794 Bi\n0.168383 0.658815 0.875223 S\n0.331617 0.841184 0.624777 S\n0.341185 0.831617 0.124777 S\n0.158815 0.331617 0.624777 S\n0.168383 0.341185 0.124777 S\n0.158815 0.668383 0.375223 S\n0.831617 0.658815 0.124777 S\n0.331617 0.158815 0.375223 S\n0.658815 0.831617 0.875223 S\n0.841184 0.668383 0.624777 S\n0.831617 0.341185 0.875223 S\n0.668383 0.841184 0.375223 S\n0.341185 0.168383 0.875223 S\n0.668383 0.158815 0.624777 S\n0.841184 0.331617 0.375223 S\n0.658815 0.168383 0.124777 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"S"
],
"chemical_system": "Bi-Ga-S",
"density": 4.5888737483479245,
"density_atomic": 0.04058095753597967,
"volume": 689.9787905491089,
"volume_molar": 14.839819278933186,
"formula_full": "Ga8 Bi4 S16",
"formula_reduced": "Ga2BiS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.146244135714286,
"spacegroup": 126
},
{
"id": "jvasp-85286",
"created_at": "2022-09-04T14:36:12.116462Z",
"updated_at": "2022-09-04T14:36:12.116493Z",
"structure_string": "K4 Tc2 I12\n1.0\n7.721518 0.000000 -0.067564\n0.000000 7.975751 0.000000\n-0.022441 0.000000 11.203604\nK Tc I\n4 2 12\ndirect\n0.026710 0.429798 0.749316 K\n0.473291 0.929798 0.750684 K\n0.526710 0.070202 0.249316 K\n0.973291 0.570202 0.250684 K\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n0.927492 -0.000809 0.759025 I\n0.192747 0.712176 0.970607 I\n0.692747 0.787824 0.470607 I\n0.290677 0.194460 0.963388 I\n0.307254 0.212176 0.529393 I\n0.427492 0.500809 0.259025 I\n0.807254 0.287824 0.029393 I\n0.072508 0.000809 0.240975 I\n0.572508 0.499191 0.740975 I\n0.709324 0.805540 0.036612 I\n0.790677 0.305540 0.463389 I\n0.209324 0.694459 0.536611 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Tc",
"I"
],
"chemical_system": "I-K-Tc",
"density": 4.513184899559604,
"density_atomic": 0.0260884388696287,
"volume": 689.9607941261294,
"volume_molar": 23.08356122838296,
"formula_full": "K4 Tc2 I12",
"formula_reduced": "K2TcI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1366339055555558,
"spacegroup": 14
},
{
"id": "jvasp-98577",
"created_at": "2022-09-04T14:36:11.626287Z",
"updated_at": "2022-09-04T14:36:11.626308Z",
"structure_string": "Nd12 Se4 Br4 N8\n1.0\n4.107489 0.000000 0.000000\n-0.000000 12.647301 0.000000\n0.000000 0.000000 13.280070\nNd Se Br N\n12 4 4 8\ndirect\n0.250000 0.889893 0.410918 Nd\n0.750000 0.384727 0.477716 Nd\n0.250000 0.615273 0.522284 Nd\n0.750000 0.844789 0.802111 Nd\n0.750000 0.389893 0.089082 Nd\n0.250000 0.155211 0.197889 Nd\n0.250000 0.344789 0.697889 Nd\n0.750000 0.115273 0.977716 Nd\n0.750000 0.110107 0.589082 Nd\n0.250000 0.610107 0.910918 Nd\n0.750000 0.655211 0.302111 Nd\n0.250000 0.884727 0.022284 Nd\n0.250000 0.353086 0.934948 Se\n0.750000 0.853086 0.565052 Se\n0.250000 0.146914 0.434948 Se\n0.750000 0.646914 0.065052 Se\n0.250000 0.441073 0.256890 Br\n0.750000 0.941073 0.243110 Br\n0.750000 0.558927 0.743110 Br\n0.250000 0.058927 0.756890 Br\n0.750000 0.933247 0.947079 N\n0.250000 0.433247 0.552921 N\n0.750000 0.227823 0.143041 N\n0.250000 0.772177 0.856959 N\n0.250000 0.066753 0.052921 N\n0.750000 0.272177 0.643041 N\n0.250000 0.727823 0.356959 N\n0.750000 0.566753 0.447079 N\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nd",
"Se",
"Br",
"N"
],
"chemical_system": "Br-N-Nd-Se",
"density": 5.965519271884036,
"density_atomic": 0.04058666841068876,
"volume": 689.8817049153515,
"volume_molar": 14.837731195532252,
"formula_full": "Nd12 Se4 Br4 N8",
"formula_reduced": "Nd3SeBrN2",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.449385495952381,
"spacegroup": 62
}
]
}