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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4547",
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"results": [
{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
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"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
"volume_molar": 8.188243918193765,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1150660300000004,
"spacegroup": 15
},
{
"id": "jvasp-112860",
"created_at": "2022-09-04T14:38:44.967265Z",
"updated_at": "2022-09-04T14:38:44.967292Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n6.627786 0.093817 1.602487\n0.173352 6.626183 1.602487\n-0.187077 -0.184846 5.381717\nZn Si Sn O\n2 4 2 12\ndirect\n0.602398 0.397602 0.250001 Zn\n0.397602 0.602397 0.750001 Zn\n0.871317 0.690901 0.776314 Si\n0.309099 0.128683 0.723689 Si\n0.690901 0.871317 0.276313 Si\n0.128683 0.309099 0.223688 Si\n0.786358 0.213641 0.750001 Sn\n0.213641 0.786358 0.250001 Sn\n0.898943 0.390137 0.307905 O\n0.609863 0.101057 0.192097 O\n0.522078 0.699240 0.358545 O\n0.300759 0.477922 0.141456 O\n0.477922 0.300759 0.641457 O\n0.149893 0.187374 0.981352 O\n0.850107 0.812626 0.018651 O\n0.187374 0.149893 0.481351 O\n0.101057 0.609862 0.692097 O\n0.812626 0.850106 0.518651 O\n0.699241 0.522077 0.858546 O\n0.390137 0.898942 0.807905 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Si",
"Sn",
"O"
],
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"density": 4.650931134056854,
"density_atomic": 0.08328782241576219,
"volume": 240.13114306389897,
"volume_molar": 7.230517721952486,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1118670300000004,
"spacegroup": 15
},
{
"id": "jvasp-19361",
"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Sn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sn-Zn",
"density": 6.576942210068109,
"density_atomic": 0.08476052650827433,
"volume": 235.95889294113337,
"volume_molar": 7.104888334326378,
"formula_full": "Zn4 Sn2 Sb2 O12",
"formula_reduced": "Zn2SnSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.44668396,
"spacegroup": 11
},
{
"id": "jvasp-98071",
"created_at": "2022-09-04T14:35:54.048326Z",
"updated_at": "2022-09-04T14:35:54.048352Z",
"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.718891 -0.000000 0.000000\n-0.000000 10.596583 0.000000\n0.000000 0.000000 16.069833\nZn Te Br O\n16 8 16 24\ndirect\n0.401822 0.236824 0.977266 Zn\n0.098178 0.736824 0.022734 Zn\n0.160411 0.491920 0.608867 Zn\n0.901822 0.236824 0.522734 Zn\n0.098178 0.763175 0.477266 Zn\n0.339589 0.508080 0.108867 Zn\n0.160411 0.008080 0.891133 Zn\n0.839589 0.991919 0.108867 Zn\n0.901822 0.263175 0.977266 Zn\n0.839589 0.508080 0.391133 Zn\n0.401822 0.263175 0.522734 Zn\n0.598178 0.763175 0.022734 Zn\n0.660411 0.008080 0.608867 Zn\n0.660411 0.491920 0.891133 Zn\n0.339589 0.991919 0.391133 Zn\n0.598178 0.736824 0.477266 Zn\n0.710018 0.027934 0.904784 Te\n0.210018 0.027934 0.595216 Te\n0.789982 0.527934 0.095216 Te\n0.289982 0.972065 0.095216 Te\n0.710018 0.472066 0.595216 Te\n0.289982 0.527934 0.404784 Te\n0.789982 0.972065 0.404784 Te\n0.210018 0.472066 0.904784 Te\n0.650441 0.914245 0.214307 Br\n0.557832 0.790798 0.630867 Br\n0.057832 0.790798 0.869133 Br\n0.849559 0.085755 0.714307 Br\n0.442168 0.209201 0.369133 Br\n0.849559 0.414245 0.785693 Br\n0.349559 0.085755 0.785693 Br\n0.942168 0.209201 0.130867 Br\n0.650441 0.585754 0.285693 Br\n0.057832 0.709201 0.630867 Br\n0.442168 0.290798 0.130867 Br\n0.150441 0.914245 0.285693 Br\n0.557832 0.709201 0.869133 Br\n0.150441 0.585754 0.214307 Br\n0.942168 0.290798 0.369133 Br\n0.349559 0.414245 0.714307 Br\n0.940854 0.411546 0.577739 O\n0.559145 0.588453 0.077739 O\n0.059145 0.911546 0.077739 O\n0.808660 0.057576 0.511476 O\n0.853544 0.690213 0.054286 O\n0.059145 0.588453 0.422261 O\n0.146455 0.309787 0.945714 O\n0.308660 0.057576 0.988523 O\n0.808660 0.442424 0.988523 O\n0.308660 0.442424 0.511476 O\n0.646455 0.309787 0.554286 O\n0.559145 0.911546 0.422261 O\n0.146455 0.190213 0.554286 O\n0.440855 0.411546 0.922261 O\n0.353544 0.809786 0.054286 O\n0.191340 0.557575 0.011477 O\n0.440855 0.088454 0.577739 O\n0.191340 0.942424 0.488523 O\n0.691340 0.557575 0.488523 O\n0.646455 0.190213 0.945714 O\n0.353544 0.690213 0.445714 O\n0.853544 0.809786 0.445714 O\n0.691340 0.942424 0.011477 O\n0.940854 0.088454 0.922261 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Zn",
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Te-Zn",
"density": 4.711962016803473,
"density_atomic": 0.04869090627345415,
"volume": 1314.4138176555616,
"volume_molar": 12.368101604391821,
"formula_full": "Zn16 Te8 Br16 O24",
"formula_reduced": "Zn2TeBr2O3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.5524096595833333,
"spacegroup": 56
},
{
"id": "jvasp-29526",
"created_at": "2022-09-04T14:37:12.954380Z",
"updated_at": "2022-09-04T14:37:12.954412Z",
"structure_string": "Zn2 Te2 Mo2 O12\n1.0\n5.073319 0.000000 0.000000\n0.000000 5.302659 0.000000\n0.000000 0.000000 8.924802\nZn Te Mo O\n2 2 2 12\ndirect\n0.500000 0.500000 0.522844 Zn\n0.000000 0.000000 0.477156 Zn\n0.000000 0.500000 0.251452 Te\n0.500000 0.000000 0.748547 Te\n0.000000 0.500000 0.811513 Mo\n0.500000 0.000000 0.188487 Mo\n0.761068 0.177609 0.291361 O\n0.238932 0.822391 0.291361 O\n0.722447 0.175486 0.607147 O\n0.261068 0.322391 0.708639 O\n0.846038 0.286463 0.927702 O\n0.738932 0.677609 0.708639 O\n0.277553 0.824515 0.607147 O\n0.153962 0.713537 0.927702 O\n0.777553 0.675486 0.392853 O\n0.222447 0.324515 0.392853 O\n0.653962 0.786463 0.072298 O\n0.346038 0.213537 0.072298 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Zn",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-O-Te-Zn",
"density": 5.324683116767936,
"density_atomic": 0.07497009216992336,
"volume": 240.09574323587768,
"volume_molar": 8.03272423135152,
"formula_full": "Zn2 Te2 Mo2 O12",
"formula_reduced": "ZnTeMoO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.412536118518519,
"spacegroup": 18
},
{
"id": "jvasp-11209",
"created_at": "2022-09-04T14:37:15.840086Z",
"updated_at": "2022-09-04T14:37:15.840105Z",
"structure_string": "Zr2 Ag1 Pd1 F11\n1.0\n5.529572 0.020986 2.076626\n1.039794 5.430970 2.076626\n0.029196 0.024230 7.902308\nZr Ag Pd F\n2 1 1 11\ndirect\n0.493000 0.493001 0.236560 Zr\n0.506999 0.506999 0.763441 Zr\n0.000000 0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Pd\n0.804121 0.233566 0.691474 F\n0.766435 0.195880 0.308527 F\n0.195879 0.766435 0.308527 F\n0.233565 0.804121 0.691474 F\n0.500000 0.500000 0.500001 F\n0.336084 0.663915 0.000001 F\n0.663915 0.336085 0.000000 F\n0.255264 0.255264 0.343709 F\n0.744735 0.744736 0.656292 F\n0.275394 0.275394 0.892096 F\n0.724605 0.724607 0.107905 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Ag",
"Pd",
"F"
],
"chemical_system": "Ag-F-Pd-Zr",
"density": 4.251365563893481,
"density_atomic": 0.06340152102562618,
"volume": 236.58738398306198,
"volume_molar": 9.498416855907792,
"formula_full": "Zr2 Ag1 Pd1 F11",
"formula_reduced": "Zr2AgPdF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.4977863378333339,
"spacegroup": 12
},
{
"id": "jvasp-119683",
"created_at": "2022-09-04T14:38:52.443035Z",
"updated_at": "2022-09-04T14:38:52.443060Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.387239 0.019769 0.076491\n0.122001 7.386258 0.076491\n0.039747 0.039201 10.546718\nZr Cr Ag S\n4 4 4 16\ndirect\n-0.000125 0.249704 0.624781 Zr\n0.749704 -0.000125 0.374781 Zr\n0.499875 0.749704 0.124781 Zr\n0.249704 0.499875 0.874781 Zr\n0.000059 0.750066 0.625068 Cr\n0.750066 0.500059 0.875068 Cr\n0.250066 0.000059 0.375068 Cr\n0.500059 0.250066 0.125068 Cr\n0.985123 0.515195 0.250161 Ag\n0.485123 0.015195 0.750161 Ag\n0.515195 0.485123 0.500161 Ag\n0.015195 0.985123 0.000161 Ag\n0.772363 0.516214 0.644273 S\n0.992805 0.269668 0.868588 S\n0.227943 0.983841 0.605919 S\n0.516214 0.272363 0.894273 S\n0.269667 0.492805 0.118588 S\n0.507013 0.730135 0.881210 S\n0.730135 0.007013 0.131210 S\n0.769668 0.992805 0.618588 S\n0.272363 0.016214 0.144273 S\n0.492805 0.769668 0.368588 S\n0.727943 0.483841 0.105919 S\n0.016214 0.772363 0.394273 S\n0.983841 0.727943 0.855919 S\n0.007013 0.230135 0.381210 S\n0.483841 0.227943 0.355919 S\n0.230135 0.507013 0.631210 S\n",
"nsites": 28,
"nelements": 4,
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],
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"density": 4.379008780387093,
"density_atomic": 0.04866162598255002,
"volume": 575.4020634255163,
"volume_molar": 12.375543641224668,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5282184514285726,
"spacegroup": 74
},
{
"id": "jvasp-117394",
"created_at": "2022-09-04T14:38:27.252775Z",
"updated_at": "2022-09-04T14:38:27.252801Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.519514603376853,
"density_atomic": 0.05022299344025439,
"volume": 278.75678132675415,
"volume_molar": 11.990804106816093,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5346984514285724,
"spacegroup": 11
},
{
"id": "jvasp-109801",
"created_at": "2022-09-04T14:38:49.858161Z",
"updated_at": "2022-09-04T14:38:49.858192Z",
"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Zr",
"density": 4.386370838611093,
"density_atomic": 0.05519193829186047,
"volume": 126.83011716282371,
"volume_molar": 10.911268830883088,
"formula_full": "Zr1 Cr1 Cu1 S4",
"formula_reduced": "ZrCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.503500335714287,
"spacegroup": 8
},
{
"id": "jvasp-91618",
"created_at": "2022-09-04T14:35:43.594506Z",
"updated_at": "2022-09-04T14:35:43.594533Z",
"structure_string": "Zr2 Cu2 Ge2 As2\n1.0\n3.745069 0.000000 -0.000000\n0.000000 3.745069 0.000000\n0.000000 0.000000 9.701641\nZr Cu Ge As\n2 2 2 2\ndirect\n0.750000 0.750000 0.773217 Zr\n0.250000 0.250000 0.226782 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.322557 As\n0.250000 0.250000 0.677443 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Zr",
"density": 7.379004723345118,
"density_atomic": 0.05879293481468133,
"volume": 136.07077151729973,
"volume_molar": 10.242966742487221,
"formula_full": "Zr2 Cu2 Ge2 As2",
"formula_reduced": "ZrCuGeAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.6041431624999998,
"spacegroup": 129
},
{
"id": "jvasp-17766",
"created_at": "2022-09-04T14:37:28.711352Z",
"updated_at": "2022-09-04T14:37:28.711374Z",
"structure_string": "Zr2 Cu2 Si2 P2\n1.0\n3.607653 0.000000 0.000000\n0.000000 3.607653 0.000000\n0.000000 -0.000000 9.560187\nZr Cu Si P\n2 2 2 2\ndirect\n0.500000 0.000000 0.771349 Zr\n0.000000 0.500000 0.228651 Zr\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.327338 P\n0.000000 0.500000 0.672663 P\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Si",
"P"
],
"chemical_system": "Cu-P-Si-Zr",
"density": 5.707295063348797,
"density_atomic": 0.06429453840086145,
"volume": 124.42736504494155,
"volume_molar": 9.366488833706772,
"formula_full": "Zr2 Cu2 Si2 P2",
"formula_reduced": "ZrCuSiP",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3198822625,
"spacegroup": 129
},
{
"id": "jvasp-119632",
"created_at": "2022-09-04T14:38:36.412753Z",
"updated_at": "2022-09-04T14:38:36.412772Z",
"structure_string": "Zr4 Fe2 B4 Ru10\n1.0\n9.323383 -0.000000 0.000000\n0.000000 9.323383 0.000000\n-0.000000 -0.000000 3.045481\nZr Fe B Ru\n4 2 4 10\ndirect\n0.676586 0.176586 -0.000000 Zr\n0.323414 0.823413 -0.000000 Zr\n0.176586 0.323414 -0.000000 Zr\n0.823413 0.676586 -0.000000 Zr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.623934 0.876066 -0.000000 B\n0.376066 0.123934 -0.000000 B\n0.123934 0.623934 -0.000000 B\n0.876066 0.376066 -0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.212880 0.070397 0.500000 Ru\n0.787119 0.929602 0.500000 Ru\n0.070397 0.787119 0.500000 Ru\n0.712880 0.429602 0.500000 Ru\n0.929602 0.212880 0.500000 Ru\n0.287119 0.570397 0.500000 Ru\n0.570397 0.712880 0.500000 Ru\n0.429602 0.287119 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"Fe",
"B",
"Ru"
],
"chemical_system": "B-Fe-Ru-Zr",
"density": 9.60037062309513,
"density_atomic": 0.0755487096109548,
"volume": 264.7298690208196,
"volume_molar": 7.971202673098695,
"formula_full": "Zr4 Fe2 B4 Ru10",
"formula_reduced": "Zr2FeB2Ru5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 5.169342216666667,
"spacegroup": 127
}
]
}