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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3543",
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"results": [
{
"id": "jvasp-21894",
"created_at": "2022-09-04T14:37:48.280417Z",
"updated_at": "2022-09-04T14:37:48.280435Z",
"structure_string": "Na4 Cd4 Sb4\n1.0\n4.765825 -0.000000 0.000000\n0.000000 8.002835 0.000000\n0.000000 0.000000 8.606441\nNa Cd Sb\n4 4 4\ndirect\n0.750001 0.485203 0.681392 Na\n0.250000 0.514796 0.318608 Na\n0.750001 0.985203 0.818608 Na\n0.250000 0.014796 0.181392 Na\n0.750001 0.349937 0.078082 Cd\n0.250000 0.650062 0.921918 Cd\n0.750001 0.849937 0.421918 Cd\n0.250000 0.150063 0.578082 Cd\n0.750001 0.726370 0.103806 Sb\n0.250000 0.273630 0.896194 Sb\n0.750001 0.226370 0.396194 Sb\n0.250000 0.773629 0.603806 Sb\n",
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"volume": 328.2506160350095,
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{
"id": "jvasp-25002",
"created_at": "2022-09-04T14:37:49.136555Z",
"updated_at": "2022-09-04T14:37:49.136567Z",
"structure_string": "Dy4 Se4 Cl4 O12\n1.0\n6.965149 0.000000 0.000000\n-0.000000 7.124381 0.000000\n0.000000 0.000000 8.871151\nDy Se Cl O\n4 4 4 12\ndirect\n0.750000 0.395641 0.039319 Dy\n0.750000 0.895641 0.460681 Dy\n0.250000 0.604358 0.960681 Dy\n0.250000 0.104359 0.539319 Dy\n0.750000 0.300334 0.632176 Se\n0.250000 0.699666 0.367824 Se\n0.750000 0.800334 0.867824 Se\n0.250000 0.199666 0.132176 Se\n0.250000 0.949828 0.820321 Cl\n0.750000 0.550172 0.320321 Cl\n0.250000 0.449828 0.679679 Cl\n0.750000 0.050172 0.179679 Cl\n0.750000 0.249438 0.819208 O\n0.927742 0.647731 0.935055 O\n0.572258 0.647731 0.935055 O\n0.750000 0.749438 0.680792 O\n0.072258 0.352269 0.064945 O\n0.072258 0.852269 0.435055 O\n0.250000 0.750562 0.180792 O\n0.927742 0.147731 0.564945 O\n0.250000 0.250562 0.319208 O\n0.427742 0.352269 0.064945 O\n0.572258 0.147731 0.564945 O\n0.427742 0.852269 0.435055 O\n",
"nsites": 24,
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],
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"density": 4.902484747401869,
"density_atomic": 0.054519733206137136,
"volume": 440.2075833580636,
"volume_molar": 11.045800127507052,
"formula_full": "Dy4 Se4 Cl4 O12",
"formula_reduced": "DySeClO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 62
},
{
"id": "jvasp-21774",
"created_at": "2022-09-04T14:37:48.614548Z",
"updated_at": "2022-09-04T14:37:48.614564Z",
"structure_string": "Sr4 Zn4 Sb8\n1.0\n4.438553 -0.000000 0.000000\n-0.000000 4.476713 0.000000\n0.000000 0.000000 22.713427\nSr Zn Sb\n4 4 8\ndirect\n0.250000 0.770456 0.616867 Sr\n0.750000 0.229544 0.383133 Sr\n0.750000 0.270456 0.883133 Sr\n0.250000 0.729543 0.116867 Sr\n0.250000 0.271228 0.750024 Zn\n0.750000 0.728772 0.249976 Zn\n0.750000 0.771227 0.749976 Zn\n0.250000 0.228772 0.250024 Zn\n0.250000 0.221129 0.001132 Sb\n0.750000 0.778871 0.998868 Sb\n0.750000 0.721128 0.498868 Sb\n0.250000 0.278871 0.501132 Sb\n0.250000 0.729333 0.324437 Sb\n0.750000 0.270666 0.675563 Sb\n0.750000 0.229333 0.175563 Sb\n0.250000 0.770666 0.824437 Sb\n",
"nsites": 16,
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"elements": [
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"Zn",
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],
"chemical_system": "Sb-Sr-Zn",
"density": 5.83609858360778,
"density_atomic": 0.03545166642394087,
"volume": 451.3186999072923,
"volume_molar": 16.98690461538696,
"formula_full": "Sr4 Zn4 Sb8",
"formula_reduced": "SrZnSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.24803731375,
"spacegroup": 62
},
{
"id": "jvasp-32165",
"created_at": "2022-09-04T14:37:48.892451Z",
"updated_at": "2022-09-04T14:37:48.892485Z",
"structure_string": "Zr4 Pb4 S12\n1.0\n3.803540 -0.000000 0.000000\n-0.000000 9.113608 0.000000\n0.000000 0.000000 13.947818\nZr Pb S\n4 4 12\ndirect\n0.750000 0.831927 0.951182 Zr\n0.250000 0.168073 0.048818 Zr\n0.750000 0.331927 0.548818 Zr\n0.250000 0.668073 0.451182 Zr\n0.750000 0.484750 0.174584 Pb\n0.750000 0.984750 0.325416 Pb\n0.250000 0.015251 0.674584 Pb\n0.250000 0.515251 0.825416 Pb\n0.250000 0.773182 0.283760 S\n0.750000 0.226818 0.716240 S\n0.250000 0.509005 0.605628 S\n0.750000 0.832198 0.512572 S\n0.250000 0.167802 0.487429 S\n0.750000 0.332198 0.987429 S\n0.250000 0.667802 0.012571 S\n0.750000 0.990996 0.105628 S\n0.250000 0.009005 0.894372 S\n0.750000 0.490995 0.394372 S\n0.750000 0.726819 0.783760 S\n0.250000 0.273182 0.216240 S\n",
"nsites": 20,
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"elements": [
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"S"
],
"chemical_system": "Pb-S-Zr",
"density": 5.421287962539491,
"density_atomic": 0.04136617753097138,
"volume": 483.4867805957112,
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"formula_full": "Zr4 Pb4 S12",
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},
{
"id": "jvasp-25612",
"created_at": "2022-09-04T14:37:48.977639Z",
"updated_at": "2022-09-04T14:37:48.977662Z",
"structure_string": "Nd12 Nb4 O28\n1.0\n7.663464 0.000000 0.000000\n0.000000 7.691680 0.000000\n0.000000 0.000000 11.008165\nNd Nb O\n12 4 28\ndirect\n0.487590 0.290434 0.250000 Nd\n0.749253 0.546586 0.475322 Nd\n0.250746 0.453414 0.524677 Nd\n0.987590 0.209565 0.250000 Nd\n0.750746 0.046586 0.975322 Nd\n0.750746 0.046586 0.524677 Nd\n0.512409 0.709565 0.750000 Nd\n0.250746 0.453414 0.975322 Nd\n0.012409 0.790434 0.750000 Nd\n0.249254 0.953414 0.024678 Nd\n0.749253 0.546586 0.024678 Nd\n0.249254 0.953414 0.475322 Nd\n0.504074 0.247309 0.750000 Nb\n0.004075 0.252691 0.750000 Nb\n0.495925 0.752691 0.250000 Nb\n0.995925 0.747309 0.250000 Nb\n0.247299 0.333504 0.750000 O\n0.044739 0.591510 0.386391 O\n0.538010 0.449533 0.873360 O\n0.256514 0.727128 0.882255 O\n0.756513 0.772872 0.882255 O\n0.461989 0.550467 0.126640 O\n0.747298 0.166496 0.750000 O\n0.544739 0.908490 0.113609 O\n0.243486 0.227128 0.117745 O\n0.955260 0.408490 0.613608 O\n0.044739 0.591510 0.113609 O\n0.544739 0.908490 0.386391 O\n0.955260 0.408490 0.886391 O\n0.256514 0.727128 0.617744 O\n0.455261 0.091510 0.886391 O\n0.743486 0.272872 0.117745 O\n0.455261 0.091510 0.613608 O\n0.243486 0.227128 0.382255 O\n0.461989 0.550467 0.373360 O\n0.252701 0.833504 0.250000 O\n0.756513 0.772872 0.617744 O\n0.961989 0.949533 0.373360 O\n0.538010 0.449533 0.626640 O\n0.752701 0.666496 0.250000 O\n0.961989 0.949533 0.126640 O\n0.038011 0.050467 0.626640 O\n0.743486 0.272872 0.382255 O\n0.038011 0.050467 0.873360 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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],
"chemical_system": "Nb-Nd-O",
"density": 6.527025829314392,
"density_atomic": 0.06780963653779794,
"volume": 648.8753257875649,
"volume_molar": 8.880951244508122,
"formula_full": "Nd12 Nb4 O28",
"formula_reduced": "Nd3NbO7",
"formula_anonymous": "AB3C7",
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"spacegroup": 62
},
{
"id": "jvasp-21896",
"created_at": "2022-09-04T14:37:49.085710Z",
"updated_at": "2022-09-04T14:37:49.085742Z",
"structure_string": "Hf4 Si4 Rh4\n1.0\n3.924882 -0.000000 0.000000\n0.000000 6.516946 0.000000\n0.000000 0.000000 7.458977\nHf Si Rh\n4 4 4\ndirect\n0.250000 0.520498 0.184705 Hf\n0.750000 0.479502 0.815296 Hf\n0.250000 0.020498 0.315296 Hf\n0.750000 0.979503 0.684705 Hf\n0.250000 0.772635 0.883118 Si\n0.750000 0.227366 0.116882 Si\n0.250000 0.272634 0.616882 Si\n0.750000 0.727366 0.383118 Si\n0.750000 0.849793 0.066663 Rh\n0.250000 0.150208 0.933338 Rh\n0.750000 0.349792 0.433337 Rh\n0.250000 0.650208 0.566663 Rh\n",
"nsites": 12,
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"elements": [
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"Rh"
],
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"density": 10.774399771343441,
"density_atomic": 0.06289719115224994,
"volume": 190.78753407211158,
"volume_molar": 9.574578211962933,
"formula_full": "Hf4 Si4 Rh4",
"formula_reduced": "HfSiRh",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-25609",
"created_at": "2022-09-04T14:37:49.181872Z",
"updated_at": "2022-09-04T14:37:49.181901Z",
"structure_string": "K12 P4 O16\n1.0\n5.947520 0.000000 0.000000\n-0.000000 8.084114 0.000000\n0.000000 0.000000 11.217176\nK P O\n12 4 16\ndirect\n0.804618 0.492505 0.644499 K\n0.195382 0.992504 0.355501 K\n0.304618 0.507495 0.855502 K\n0.138212 0.250000 0.070049 K\n0.638212 0.750000 0.429951 K\n0.861788 0.750000 0.929952 K\n0.304618 0.992504 0.855502 K\n0.361788 0.250000 0.570049 K\n0.695382 0.492505 0.144499 K\n0.195382 0.507495 0.355501 K\n0.804618 0.007495 0.644499 K\n0.695382 0.007495 0.144499 K\n0.218316 0.750000 0.615034 P\n0.281684 0.750000 0.115034 P\n0.781684 0.250000 0.384966 P\n0.718316 0.250000 0.884966 P\n0.947422 0.250000 0.493504 O\n0.367256 0.591546 0.610638 O\n0.867256 0.091547 0.889363 O\n0.552577 0.250000 0.993504 O\n0.924456 0.250000 0.268138 O\n0.632743 0.408453 0.389362 O\n0.447422 0.750000 0.006496 O\n0.367256 0.908453 0.610638 O\n0.132744 0.591546 0.110638 O\n0.867256 0.408453 0.889363 O\n0.132744 0.908453 0.110638 O\n0.632743 0.091547 0.389362 O\n0.052577 0.750000 0.506496 O\n0.075544 0.750000 0.731862 O\n0.575544 0.250000 0.768138 O\n0.424456 0.750000 0.231862 O\n",
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"volume": 539.3266420700164,
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"formula_full": "K12 P4 O16",
"formula_reduced": "K3PO4",
"formula_anonymous": "AB3C4",
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"spacegroup": 62
},
{
"id": "jvasp-23796",
"created_at": "2022-09-04T14:37:49.221131Z",
"updated_at": "2022-09-04T14:37:49.221146Z",
"structure_string": "Lu4 Si4 Ir4\n1.0\n4.181152 -0.000000 0.000000\n-0.000000 6.706701 0.000000\n0.000000 0.000000 7.409922\nLu Si Ir\n4 4 4\ndirect\n0.750000 0.504871 0.811954 Lu\n0.250000 0.995129 0.311954 Lu\n0.750000 0.004871 0.688046 Lu\n0.250000 0.495129 0.188046 Lu\n0.250000 0.705517 0.612083 Si\n0.250000 0.205517 0.887916 Si\n0.750000 0.294483 0.387916 Si\n0.750000 0.794483 0.112083 Si\n0.250000 0.838204 0.933312 Ir\n0.250000 0.338204 0.566687 Ir\n0.750000 0.661795 0.433312 Ir\n0.750000 0.161795 0.066687 Ir\n",
"nsites": 12,
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"elements": [
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],
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"density": 12.6352504807384,
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"volume": 207.78707872424894,
"volume_molar": 10.427691968221906,
"formula_full": "Lu4 Si4 Ir4",
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"spacegroup": 62
},
{
"id": "jvasp-23784",
"created_at": "2022-09-04T14:37:49.611892Z",
"updated_at": "2022-09-04T14:37:49.611913Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.563563 0.000000 0.000000\n0.000000 5.595657 0.000000\n0.000000 0.000000 7.876208\nSr Ru O\n4 4 12\ndirect\n0.525273 0.503816 0.750000 Sr\n0.474726 0.496184 0.250000 Sr\n0.974726 0.003816 0.250000 Sr\n0.025273 0.996184 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.996442 0.438781 0.750000 O\n0.218163 0.218270 0.467993 O\n0.218163 0.218270 0.032007 O\n0.281836 0.718270 0.532007 O\n0.781836 0.781730 0.967993 O\n0.718163 0.281730 0.467993 O\n0.281836 0.718270 0.967993 O\n0.718163 0.281730 0.032007 O\n0.496443 0.061219 0.750000 O\n0.781836 0.781730 0.532007 O\n0.503557 0.938781 0.250000 O\n0.003557 0.561219 0.250000 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.411570518165555,
"density_atomic": 0.08156591703008932,
"volume": 245.20045538900868,
"volume_molar": 7.383158283843554,
"formula_full": "Sr4 Ru4 O12",
"formula_reduced": "SrRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.972725462,
"spacegroup": 62
},
{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
"nsites": 24,
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"elements": [
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"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb",
"density": 3.3392070126620497,
"density_atomic": 0.03539925935580315,
"volume": 677.9802865018298,
"volume_molar": 17.012052990913116,
"formula_full": "Rb8 Cu4 Cl12",
"formula_reduced": "Rb2CuCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-23791",
"created_at": "2022-09-04T14:37:50.565542Z",
"updated_at": "2022-09-04T14:37:50.565567Z",
"structure_string": "Sc4 Si4 Ni4\n1.0\n4.019530 0.000000 0.000000\n0.000000 6.440208 0.000000\n0.000000 0.000000 6.957428\nSc Si Ni\n4 4 4\ndirect\n0.750000 0.006969 0.203135 Sc\n0.250000 0.993032 0.796865 Sc\n0.750000 0.506969 0.296865 Sc\n0.250000 0.493031 0.703135 Sc\n0.250000 0.300571 0.092539 Si\n0.750000 0.699429 0.907461 Si\n0.250000 0.800571 0.407461 Si\n0.750000 0.199429 0.592540 Si\n0.250000 0.687183 0.080230 Ni\n0.750000 0.312818 0.919770 Ni\n0.250000 0.187182 0.419770 Ni\n0.750000 0.812818 0.580230 Ni\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ni-Sc-Si",
"density": 4.858315960131464,
"density_atomic": 0.0666280889638579,
"volume": 180.1042201061679,
"volume_molar": 9.038441374578044,
"formula_full": "Sc4 Si4 Ni4",
"formula_reduced": "ScSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.711122083333333,
"spacegroup": 62
},
{
"id": "jvasp-23340",
"created_at": "2022-09-04T14:37:50.512010Z",
"updated_at": "2022-09-04T14:37:50.512029Z",
"structure_string": "Dy4 Si4 Ru4\n1.0\n4.357391 0.000000 0.000000\n-0.000000 6.998604 0.000000\n0.000000 0.000000 7.081833\nDy Si Ru\n4 4 4\ndirect\n0.250000 0.983761 0.813912 Dy\n0.750000 0.016238 0.186087 Dy\n0.250000 0.483762 0.686087 Dy\n0.750000 0.516238 0.313912 Dy\n0.250000 0.304465 0.106385 Si\n0.750000 0.695535 0.893615 Si\n0.250000 0.804465 0.393615 Si\n0.750000 0.195535 0.606385 Si\n0.750000 0.846178 0.567441 Ru\n0.250000 0.153822 0.432559 Ru\n0.750000 0.346178 0.932558 Ru\n0.250000 0.653821 0.067441 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
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"density": 8.970065732450642,
"density_atomic": 0.05556452577023724,
"volume": 215.9651294356537,
"volume_molar": 10.838103405942714,
"formula_full": "Dy4 Si4 Ru4",
"formula_reduced": "DySiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4087618666666666,
"spacegroup": 62
}
]
}