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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=21",
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"results": [
{
"id": "jvasp-29785",
"created_at": "2022-09-04T14:36:47.239406Z",
"updated_at": "2022-09-04T14:36:47.239431Z",
"structure_string": "Al2 H2 O4\n1.0\n1.415168 6.596592 -0.494825\n-1.552866 6.623193 -0.499383\n0.009764 -0.299196 3.698174\nAl H O\n2 2 4\ndirect\n0.691210 0.632655 0.212566 Al\n0.337960 0.299143 0.794698 Al\n0.080278 0.657613 0.334812 H\n-0.001070 0.971550 0.949096 H\n0.243637 0.380592 0.289457 O\n0.712147 0.727145 0.737673 O\n0.115166 0.072359 0.166456 O\n0.922988 0.895805 0.833588 O\n",
"nsites": 8,
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"elements": [
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"volume": 72.10391940502221,
"volume_molar": 5.42774940005924,
"formula_full": "Al2 H2 O4",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-101914",
"created_at": "2022-09-04T14:36:47.430153Z",
"updated_at": "2022-09-04T14:36:47.430171Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.457697 -0.016288 -0.430454\n-2.184252 4.351939 -0.360312\n-0.026727 0.590933 9.607275\nZn H C O\n1 10 7 4\ndirect\n0.902239 0.355219 0.820640 Zn\n0.968588 0.196297 0.478286 H\n0.386911 0.627440 0.191512 H\n0.089846 0.671172 0.285015 H\n0.471445 0.224628 0.341933 H\n0.761035 0.200373 0.236044 H\n0.122170 0.093326 0.109213 H\n0.891153 0.697886 0.051239 H\n0.431854 0.999980 0.586388 H\n0.310456 0.625517 0.507633 H\n0.844635 0.830438 0.395307 H\n0.732778 0.780317 0.664311 C\n0.525231 0.842626 0.547280 C\n0.748539 0.988873 0.431399 C\n0.573545 0.070050 0.305746 C\n0.292733 0.792997 0.220662 C\n0.142589 0.880550 0.086959 C\n0.366913 0.928739 0.973041 C\n0.602345 0.197977 0.968080 O\n0.948454 0.999194 0.748007 O\n0.699339 0.507161 0.668097 O\n0.331575 0.701883 0.893398 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9800048327460489,
"density_atomic": 0.11733943273298107,
"volume": 187.4902535967039,
"volume_molar": 5.1322395376702135,
"formula_full": "Zn1 H10 C7 O4",
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"formula_anonymous": "AB4C7D10",
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},
{
"id": "jvasp-101952",
"created_at": "2022-09-04T14:36:47.479361Z",
"updated_at": "2022-09-04T14:36:47.479370Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.063340 -0.115967 -0.278640\n-0.996942 4.200739 -0.387402\n-0.030213 -0.013224 8.234216\nCd H C O\n1 6 5 4\ndirect\n0.791678 0.342719 0.244145 Cd\n0.451789 0.748284 0.552066 H\n0.499068 0.118989 0.670422 H\n0.864760 0.549783 0.630671 H\n-0.000784 0.381169 0.879584 H\n0.909473 0.902369 0.763250 H\n0.403910 0.482686 0.807545 H\n0.153567 0.024710 0.453976 C\n0.311302 0.914167 0.601911 C\n0.051815 0.740718 0.710319 C\n0.197546 0.582941 0.848475 C\n0.341368 0.792585 0.007947 C\n0.864349 0.863757 0.382844 O\n0.305685 0.288653 0.401567 O\n0.557073 0.064413 0.002620 O\n0.256676 0.687686 0.142164 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.885952772424385,
"density_atomic": 0.11466501149691004,
"volume": 139.53689788302304,
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"formula_full": "Cd1 H6 C5 O4",
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"formula_anonymous": "AB4C5D6",
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"spacegroup": 1
},
{
"id": "jvasp-101866",
"created_at": "2022-09-04T14:36:47.572921Z",
"updated_at": "2022-09-04T14:36:47.572950Z",
"structure_string": "H10 C16 N2 O4\n1.0\n4.012079 0.069107 0.197043\n1.677582 6.920680 1.567909\n0.395676 0.012248 11.201258\nH C N O\n10 16 2 4\ndirect\n0.190618 0.777453 0.043898 H\n0.620755 0.794175 0.308134 H\n0.337263 0.786959 0.688861 H\n0.130190 0.141051 0.643138 H\n0.691001 0.277217 0.544009 H\n0.387350 0.149949 0.259114 H\n0.888095 0.650218 0.759212 H\n0.836120 0.287102 0.188854 H\n0.629151 0.641179 0.143146 H\n0.121395 0.294440 0.808232 H\n0.221516 0.169644 0.445707 C\n0.505787 0.553947 0.539572 C\n0.478915 0.765812 0.501221 C\n0.351259 0.867428 0.594940 C\n0.509199 0.869592 0.381155 C\n0.378576 0.071364 0.353842 C\n0.227219 0.066495 0.568250 C\n0.025664 0.379376 0.416824 C\n0.850529 0.367591 0.094956 C\n0.978646 0.266011 0.001254 C\n0.009464 0.369828 0.881230 C\n0.878897 0.571604 0.853918 C\n0.726542 0.566661 0.068269 C\n0.721341 0.669852 0.945744 C\n0.525515 0.879588 0.916822 C\n0.005506 0.054145 0.039543 C\n0.237058 0.905618 0.995487 N\n0.737330 0.405383 0.495548 N\n0.102311 0.506722 0.335407 O\n0.602283 0.006911 0.835415 O\n0.799404 0.999541 0.119933 O\n0.299722 0.499402 0.619996 O\n",
"nsites": 32,
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"elements": [
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"O"
],
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"density": 1.5805721560791313,
"density_atomic": 0.10350983487927296,
"volume": 309.14936766465416,
"volume_molar": 5.817940649817312,
"formula_full": "H10 C16 N2 O4",
"formula_reduced": "H5C8NO2",
"formula_anonymous": "AB2C5D8",
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"spacegroup": 1
},
{
"id": "jvasp-103872",
"created_at": "2022-09-04T14:36:47.764684Z",
"updated_at": "2022-09-04T14:36:47.764695Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.766386 -0.063273 -0.064045\n-0.854146 6.050266 -0.502140\n0.060752 -0.270936 6.862455\nSn H C O\n1 10 6 4\ndirect\n0.859829 0.845708 0.343503 Sn\n0.909358 0.628495 0.658080 H\n0.093860 0.511454 0.452176 H\n0.250758 0.146794 0.211088 H\n0.909678 0.228327 0.175867 H\n0.715810 0.443011 0.461104 H\n0.760829 0.251087 0.753496 H\n0.529562 0.109611 0.910689 H\n0.197720 0.396621 0.911375 H\n0.412891 0.534007 0.744345 H\n0.019941 0.007138 0.011439 H\n0.030046 0.089369 0.162554 C\n0.898379 0.572808 0.500326 C\n0.369624 0.078471 0.621855 C\n0.593742 0.571370 0.029459 C\n0.537925 0.217240 0.792346 C\n0.416995 0.429913 0.864298 C\n0.854796 0.560296 0.050979 O\n0.103698 0.078999 0.611796 O\n0.489627 0.956774 0.491277 O\n0.476565 0.708162 0.150139 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2337115969400307,
"density_atomic": 0.1066584704286722,
"volume": 196.89012898458674,
"volume_molar": 5.646190814284464,
"formula_full": "Sn1 H10 C6 O4",
"formula_reduced": "SnH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
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"spacegroup": 1
},
{
"id": "jvasp-103987",
"created_at": "2022-09-04T14:36:47.864575Z",
"updated_at": "2022-09-04T14:36:47.864588Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895308 -0.110980 -0.548034\n-0.890648 4.241458 -0.158020\n-0.685650 0.048134 17.528757\nCd H C O\n1 20 12 4\ndirect\n0.614107 0.113797 0.156907 Cd\n0.963574 0.745308 0.453534 H\n0.928595 0.259503 0.369656 H\n0.082989 0.248691 0.968052 H\n0.685435 0.233844 0.807528 H\n0.147030 0.266642 0.830881 H\n0.751443 0.214898 0.660595 H\n0.213306 0.264970 0.690251 H\n0.830789 0.222265 0.515759 H\n0.289244 0.263310 0.548982 H\n0.653860 0.307024 0.963944 H\n0.375021 0.266894 0.408631 H\n0.773496 0.763019 0.882951 H\n0.234076 0.787600 0.904380 H\n0.783935 0.727814 0.735638 H\n0.246754 0.780753 0.763527 H\n0.855780 0.724624 0.593118 H\n0.316713 0.776695 0.624010 H\n0.111517 0.783527 0.313412 H\n0.556806 0.813832 0.356604 H\n0.419560 0.780619 0.487196 H\n0.069141 0.628318 0.042120 C\n-0.069755 0.433703 0.965133 C\n0.972795 0.619068 0.893021 C\n0.944552 0.407345 0.819933 C\n0.995394 0.597543 0.748870 C\n0.003368 0.396522 0.676529 C\n0.187792 0.419826 0.393789 C\n0.084306 0.399586 0.534483 C\n0.165231 0.605441 0.467432 C\n0.306300 0.642379 0.332359 C\n0.361854 0.482696 0.259619 C\n0.066208 0.593798 0.607127 C\n-0.051378 0.537952 0.102193 O\n0.597719 0.624221 0.223321 O\n0.184916 0.197282 0.236673 O\n0.320256 0.878558 0.043720 O\n",
"nsites": 37,
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"elements": [
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"density": 1.9758890800957247,
"density_atomic": 0.1292255555577824,
"volume": 286.3210751178058,
"volume_molar": 4.660177883551243,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
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},
{
"id": "jvasp-101809",
"created_at": "2022-09-04T14:36:47.796581Z",
"updated_at": "2022-09-04T14:36:47.796604Z",
"structure_string": "H12 C16 S2 O2\n1.0\n5.198707 -0.043443 0.359426\n2.428865 5.586964 -0.149107\n-0.048824 -0.321552 11.740754\nH C S O\n12 16 2 2\ndirect\n0.231903 0.277467 0.026423 H\n0.594896 0.617270 0.676460 H\n0.094886 0.617257 0.176458 H\n0.839603 0.510879 0.866301 H\n0.206358 0.845423 0.517764 H\n0.706346 0.845423 0.017770 H\n0.339608 0.510875 0.366298 H\n0.392116 0.139628 0.843832 H\n0.955116 0.343580 0.259942 H\n0.455124 0.343583 0.759940 H\n0.731905 0.277477 0.526426 H\n0.892114 0.139628 0.343838 H\n0.892182 0.747209 0.603733 C\n0.767258 0.583756 0.611194 C\n0.267249 0.583748 0.111194 C\n0.843199 0.396402 0.526026 C\n0.343194 0.396394 0.026025 C\n0.042906 0.224283 0.327841 C\n0.542909 0.224284 0.827839 C\n0.392170 0.747202 0.103735 C\n0.181939 0.527807 0.435836 C\n0.539823 0.373943 0.934307 C\n0.108182 0.716950 0.520539 C\n0.608172 0.716949 0.020543 C\n0.681933 0.527807 0.935838 C\n0.303987 0.022601 0.274954 C\n0.803993 0.022603 0.774953 C\n0.039826 0.373945 0.434306 C\n0.590749 0.878840 0.334339 S\n0.090746 0.878836 0.834342 S\n0.249768 0.968941 0.168181 O\n0.749786 0.968950 0.668178 O\n",
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"elements": [
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],
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"density": 1.4593146845187301,
"density_atomic": 0.0936174330978175,
"volume": 341.81667816681477,
"volume_molar": 6.432712968863054,
"formula_full": "H12 C16 S2 O2",
"formula_reduced": "H6C8SO",
"formula_anonymous": "ABC6D8",
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"spacegroup": 1
},
{
"id": "jvasp-101960",
"created_at": "2022-09-04T14:36:48.245584Z",
"updated_at": "2022-09-04T14:36:48.245611Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.772675 0.036518 -0.108410\n-1.897997 4.200704 -0.938773\n0.021858 -1.403808 13.343596\nCd H C O\n1 12 8 4\ndirect\n0.741662 0.877896 0.182007 Cd\n0.131325 0.861461 0.513509 H\n0.334619 0.493258 0.933391 H\n0.849115 0.423699 0.906105 H\n0.304986 0.177667 0.725819 H\n-0.161163 0.177608 0.717246 H\n0.006146 0.566377 0.642404 H\n0.715463 0.939187 0.532281 H\n0.146556 0.879775 0.855409 H\n0.654585 0.811117 0.833033 H\n0.687750 0.246709 0.433804 H\n0.283591 0.336174 0.452678 H\n0.537138 0.559737 0.646004 H\n0.967612 0.269615 0.031083 C\n0.035724 0.307853 0.924385 C\n-0.046181 -0.010985 0.836398 C\n-0.003280 0.032158 0.728596 C\n0.831570 0.755772 0.529862 C\n0.588824 0.441990 0.439789 C\n0.578723 0.486252 0.332695 C\n-0.163289 0.708686 0.637370 C\n0.072711 0.523804 0.113495 O\n0.426879 0.235282 0.249150 O\n0.725721 0.777709 0.331221 O\n0.803377 0.979877 0.033302 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 2.2813998399696187,
"density_atomic": 0.12069060819541179,
"volume": 207.14122145711755,
"volume_molar": 4.989734371252376,
"formula_full": "Cd1 H12 C8 O4",
"formula_reduced": "CdH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.4225217500000005,
"spacegroup": 1
},
{
"id": "jvasp-101915",
"created_at": "2022-09-04T14:36:48.135075Z",
"updated_at": "2022-09-04T14:36:48.135101Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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],
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"density_atomic": 0.12326839386133874,
"volume": 202.80948925254773,
"volume_molar": 4.8853891669701985,
"formula_full": "Zn1 H12 C8 O4",
"formula_reduced": "ZnH12(C2O)4",
"formula_anonymous": "AB4C8D12",
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"spacegroup": 1
},
{
"id": "jvasp-101869",
"created_at": "2022-09-04T14:36:48.127595Z",
"updated_at": "2022-09-04T14:36:48.127619Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n5.153430 -0.027427 -0.137901\n-0.065008 6.363885 -1.189401\n-0.155731 0.197830 9.384912\nSn H C O\n1 18 10 4\ndirect\n0.723986 0.328315 0.679467 Sn\n0.144310 0.934302 0.251713 H\n0.032457 0.204392 0.463505 H\n0.804870 0.483338 0.959771 H\n0.923850 0.671707 0.853646 H\n0.108033 0.440079 0.873117 H\n0.099340 0.709010 0.118647 H\n0.816430 0.989632 0.481197 H\n0.274178 0.491784 0.306424 H\n0.702933 0.202380 0.392563 H\n0.113229 0.792659 0.557142 H\n0.376771 0.903021 0.476976 H\n0.453525 0.741473 0.887973 H\n0.227958 0.943908 0.934503 H\n0.513086 0.107074 0.140866 H\n0.779303 0.956230 0.075286 H\n0.622895 0.819420 0.281474 H\n0.560154 0.630340 0.126604 H\n0.968129 0.603177 0.340926 H\n0.502450 0.786588 0.180590 C\n0.568202 0.950249 0.086386 C\n0.435232 0.908097 0.933977 C\n0.276292 0.756355 0.486881 C\n0.174545 0.642137 0.335044 C\n0.565883 0.034806 0.835215 C\n0.461619 0.622464 0.556794 C\n0.831950 0.157052 0.477646 C\n0.914644 0.506892 0.866230 C\n0.216328 0.774917 0.216441 C\n0.364954 0.476717 0.620996 O\n0.423709 0.161469 0.771376 O\n0.806398 0.026712 0.816463 O\n0.704869 0.639801 0.551414 O\n",
"nsites": 33,
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"elements": [
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],
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"density": 1.7256805454880808,
"density_atomic": 0.10685077829781564,
"volume": 308.8419244642472,
"volume_molar": 5.636028914281772,
"formula_full": "Sn1 H18 C10 O4",
"formula_reduced": "SnH18(C5O2)2",
"formula_anonymous": "AB4C10D18",
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{
"id": "jvasp-101916",
"created_at": "2022-09-04T14:36:48.165639Z",
"updated_at": "2022-09-04T14:36:48.165649Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.847093 0.126378 0.202827\n1.701621 4.384591 0.131060\n-0.367099 0.207818 12.147636\nZn H C O\n1 12 8 4\ndirect\n0.581274 0.903612 0.181545 Zn\n0.409210 0.615036 0.488582 H\n0.725327 0.646727 0.916541 H\n0.234992 0.777154 0.926135 H\n0.585165 0.644503 0.698049 H\n0.107638 0.725048 0.728827 H\n0.659967 0.143034 0.616118 H\n0.945370 0.671038 0.529240 H\n0.775802 0.168188 0.823355 H\n0.298934 0.246343 0.850521 H\n0.513396 0.092268 0.415941 H\n0.067074 0.130648 0.462684 H\n0.195137 0.202139 0.654869 H\n0.521450 0.414913 0.039076 C\n0.494485 0.564898 0.925301 C\n0.496124 0.358284 0.830660 C\n0.387400 0.534383 0.720251 C\n0.231591 0.492990 0.517893 C\n0.228013 0.265973 0.431507 C\n0.056338 0.399079 0.320951 C\n0.375515 0.324907 0.628030 C\n0.418345 0.584980 0.122580 O\n0.099544 0.216341 0.242176 O\n0.859432 0.690352 0.313454 O\n0.636312 0.119574 0.045211 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.9474892094038765,
"density_atomic": 0.12340774597702103,
"volume": 202.58047663114348,
"volume_molar": 4.879872582002546,
"formula_full": "Zn1 H12 C8 O4",
"formula_reduced": "ZnH12(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.437740976000001,
"spacegroup": 1
},
{
"id": "jvasp-16908",
"created_at": "2022-09-04T14:36:48.186646Z",
"updated_at": "2022-09-04T14:36:48.186666Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n3.781352 -0.011249 -0.342206\n0.001877 3.745205 -0.005738\n-0.774394 0.004761 8.838001\nTi Bi O\n1 2 6\ndirect\n0.469163 0.496352 0.205409 Ti\n0.068989 0.011108 0.540072 Bi\n0.807822 0.995841 0.945971 Bi\n0.556575 0.495228 0.408250 O\n0.628597 0.005725 0.679031 O\n-0.042299 0.495803 0.151671 O\n0.108929 0.508826 0.684483 O\n0.436304 0.495036 0.915055 O\n0.465927 -0.003917 0.140936 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti",
"density": 7.513277827197384,
"density_atomic": 0.07248070658758575,
"volume": 124.17097492177994,
"volume_molar": 8.308612103170987,
"formula_full": "Ti1 Bi2 O6",
"formula_reduced": "Ti(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.46250865925926,
"spacegroup": 1
}
]
}