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=spacegroup&page=119",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=117",
"results": [
{
"id": "jvasp-104016",
"created_at": "2022-09-04T14:36:59.112224Z",
"updated_at": "2022-09-04T14:36:59.112240Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973967 -0.064699 -0.191753\n-0.919159 4.233797 -0.089296\n-0.186036 0.059752 12.961570\nH Pb C O\n12 1 8 4\ndirect\n0.492284 0.231820 0.543036 H\n0.056319 0.139378 0.575433 H\n0.027195 0.157686 0.161534 H\n0.598678 0.089511 0.199154 H\n0.402528 0.713297 0.451408 H\n0.254662 0.190097 0.351757 H\n0.172713 0.680450 0.260357 H\n0.746294 0.612761 0.298806 H\n0.944668 0.663564 0.075152 H\n0.508643 0.570821 0.107498 H\n0.974049 0.645310 0.489054 H\n0.828275 0.122506 0.390229 H\n0.000634 0.901373 0.825279 Pb\n0.379820 0.538101 0.658254 C\n0.273583 0.335934 0.560404 C\n0.177276 0.525078 0.468179 C\n0.051553 0.311825 0.371979 C\n0.949460 0.491091 0.278597 C\n0.823868 0.277817 0.182393 C\n0.727498 0.466894 0.090156 C\n0.621571 0.264680 0.992306 C\n0.228780 0.448111 0.741760 O\n0.609942 0.794077 0.656258 O\n0.772936 0.354628 0.908852 O\n0.391425 0.008706 -0.005742 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.90060292206495,
"density_atomic": 0.11510826267464452,
"volume": 217.18684149254278,
"volume_molar": 5.231718922751605,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312785928,
"spacegroup": 2
},
{
"id": "jvasp-101933",
"created_at": "2022-09-04T14:36:59.669833Z",
"updated_at": "2022-09-04T14:36:59.669861Z",
"structure_string": "Mg2 H16 C12 O8\n1.0\n4.826192 -0.043894 -0.266296\n-1.704617 6.232018 -0.317625\n0.069303 0.172566 9.751710\nMg H C O\n2 16 12 8\ndirect\n0.232715 0.262900 0.785632 Mg\n0.732716 0.762900 0.785631 Mg\n0.930419 0.704997 0.340581 H\n0.430420 0.204996 0.340582 H\n0.203790 0.935108 0.392875 H\n0.703791 0.435107 0.392875 H\n0.517377 0.702629 0.479697 H\n0.017378 0.202628 0.479699 H\n0.747331 0.975650 0.427546 H\n0.247329 0.475650 0.427544 H\n0.761637 0.090473 0.178400 H\n0.535014 0.820579 0.230701 H\n0.035016 0.320577 0.230702 H\n0.948054 0.822994 0.091598 H\n0.448056 0.322994 0.091600 H\n0.218142 0.049950 0.143760 H\n0.718144 0.549951 0.143762 H\n0.261637 0.590475 0.178400 H\n0.165295 0.767981 0.354726 C\n0.182812 0.881347 0.108188 C\n0.682813 0.381347 0.108190 C\n0.300133 0.757600 0.216553 C\n0.800135 0.257600 0.216553 C\n0.665297 0.267981 0.354726 C\n0.657839 0.138199 0.603013 C\n0.782625 0.144259 0.463099 C\n0.307577 0.887431 0.968270 C\n0.807579 0.387431 0.968269 C\n0.157841 0.638199 0.603013 C\n0.282623 0.644258 0.463099 C\n0.803808 0.082804 0.703536 O\n0.419754 0.179298 0.615763 O\n0.919753 0.679298 0.615763 O\n0.045645 0.346297 0.955518 O\n0.545647 0.846297 0.955518 O\n0.661655 0.442870 0.867751 O\n0.161655 0.942870 0.867750 O\n0.303809 0.582804 0.703536 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mg-O",
"density": 1.9089144435318652,
"density_atomic": 0.12967931079906184,
"volume": 293.0305517962,
"volume_molar": 4.643871657624176,
"formula_full": "Mg2 H16 C12 O8",
"formula_reduced": "MgH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.312527528947368,
"spacegroup": 2
},
{
"id": "jvasp-101966",
"created_at": "2022-09-04T14:37:00.103965Z",
"updated_at": "2022-09-04T14:37:00.103980Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.795651 0.153081 0.216247\n1.251092 4.397336 0.208573\n0.412355 0.080386 17.439716\nCd H C O\n1 20 12 4\ndirect\n0.772725 0.948129 0.851185 Cd\n0.330312 0.186147 0.509887 H\n0.087126 0.658970 0.589688 H\n0.436286 0.758831 0.052427 H\n0.766322 0.764529 0.164726 H\n0.216695 0.710420 0.192479 H\n0.543837 0.731957 0.305740 H\n-0.004059 0.674905 0.333073 H\n0.317788 0.699856 0.447404 H\n0.769824 0.643510 0.474813 H\n-0.011536 0.817019 0.025741 H\n0.537218 0.607212 0.617728 H\n0.008774 0.289388 0.084793 H\n0.459103 0.237474 0.112707 H\n0.776882 0.253358 0.227710 H\n0.229076 0.196893 0.255038 H\n0.551403 0.221825 0.369381 H\n0.003375 0.164988 0.396763 H\n0.110000 0.137468 0.649871 H\n0.557626 0.079398 0.676662 H\n0.780454 0.132274 0.537745 H\n0.412727 0.489084 0.960492 C\n0.248535 0.634364 0.036572 C\n0.192939 0.413934 0.102086 C\n0.030777 0.585439 0.176054 C\n0.965362 0.376654 0.243647 C\n0.807049 0.551735 0.317260 C\n0.353300 0.482599 0.600347 C\n0.581506 0.520154 0.458826 C\n0.515963 0.311251 0.526381 C\n0.297547 0.261993 0.665805 C\n0.132920 0.407080 0.741883 C\n0.740124 0.345116 0.385220 C\n0.367819 0.663216 0.899046 O\n0.177734 0.232813 0.803306 O\n0.949798 0.691623 0.741629 O\n0.595630 0.204484 0.960761 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.969011810484272,
"density_atomic": 0.12877577373793572,
"volume": 287.3211235779224,
"volume_molar": 4.676454728398928,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595542533783784,
"spacegroup": 2
},
{
"id": "jvasp-42220",
"created_at": "2022-09-04T14:36:59.909600Z",
"updated_at": "2022-09-04T14:36:59.909617Z",
"structure_string": "V6 O10 F2\n1.0\n4.595835 0.004680 0.020755\n0.136199 5.429005 0.133917\n0.158065 0.566642 7.436120\nV O F\n6 10 2\ndirect\n0.500001 -0.000000 0.500000 V\n0.488195 0.658274 0.829020 V\n0.511807 0.341726 0.170981 V\n0.000001 0.500000 0.500000 V\n0.972331 0.828943 0.142005 V\n0.027671 0.171057 0.857996 V\n0.193841 0.460654 0.735210 O\n0.205016 0.132116 0.070712 O\n0.295813 0.968468 0.730100 O\n0.297148 0.632929 0.068098 O\n0.302369 0.302294 0.403260 O\n0.702854 0.367071 0.931903 O\n0.697633 0.697706 0.596741 O\n0.794987 0.867885 0.929289 O\n0.806162 0.539346 0.264791 O\n0.704189 0.031532 0.269901 O\n0.800820 0.195776 0.604431 F\n0.199182 0.804224 0.395570 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.516521437754457,
"density_atomic": 0.0972092148266814,
"volume": 185.16763078575414,
"volume_molar": 6.195030759930671,
"formula_full": "V6 O10 F2",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.9930555980555558,
"spacegroup": 2
},
{
"id": "jvasp-102006",
"created_at": "2022-09-04T14:37:00.632289Z",
"updated_at": "2022-09-04T14:37:00.632314Z",
"structure_string": "H20 C22 O6\n1.0\n7.108814 0.111428 0.029809\n0.324282 7.339607 2.523527\n-0.019553 0.201025 8.151651\nH C O\n20 22 6\ndirect\n0.919294 0.753965 0.827258 H\n0.790371 0.254884 0.728190 H\n0.209629 0.745117 0.271810 H\n0.864906 0.399670 0.839613 H\n0.135093 0.600331 0.160387 H\n0.199004 0.505017 0.386055 H\n0.893328 -0.002479 0.320070 H\n0.106672 0.002480 0.679930 H\n0.849518 0.841430 0.206074 H\n0.150482 0.158572 0.793926 H\n0.800995 0.494984 0.613945 H\n0.125546 0.240982 0.559204 H\n0.498668 0.655569 0.557117 H\n0.501331 0.344432 0.442883 H\n0.751474 0.130531 0.041312 H\n0.248525 0.869470 0.958687 H\n0.278334 0.985227 0.382990 H\n0.721665 0.014774 0.617010 H\n0.080706 0.246036 0.172742 H\n0.874454 0.759020 0.440796 H\n0.566606 0.420199 0.786536 C\n0.550361 0.440964 0.320829 C\n0.449638 0.559038 0.679171 C\n0.742477 0.409263 0.279194 C\n0.766427 0.391671 0.739093 C\n0.177273 0.126348 0.674456 C\n0.822726 0.873653 0.325544 C\n0.233572 0.608330 0.260907 C\n0.433393 0.579802 0.213464 C\n0.257522 0.590738 0.720806 C\n0.494615 0.299080 0.949245 C\n0.225669 0.215948 0.142914 C\n0.605141 0.154124 0.070519 C\n0.394859 0.845877 0.929481 C\n0.526373 0.042745 0.224462 C\n0.473627 0.957256 0.775538 C\n0.335839 0.073346 0.260430 C\n0.664161 0.926655 0.739570 C\n0.774330 0.784054 0.857085 C\n0.305810 0.328182 0.989082 C\n0.694189 0.671820 0.010918 C\n0.505384 0.700921 0.050755 C\n0.855867 0.286621 0.368786 O\n0.808648 0.529016 0.121600 O\n0.191351 0.470985 0.878400 O\n0.376836 0.101125 0.651227 O\n0.623163 0.898877 0.348772 O\n0.144133 0.713381 0.631213 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4988703890345891,
"density_atomic": 0.11390071321697127,
"volume": 421.4196614253331,
"volume_molar": 5.287184416947705,
"formula_full": "H20 C22 O6",
"formula_reduced": "H10C11O3",
"formula_anonymous": "A3B10C11",
"energy_above_hull": 5.268389604166667,
"spacegroup": 2
},
{
"id": "jvasp-102005",
"created_at": "2022-09-04T14:37:00.008644Z",
"updated_at": "2022-09-04T14:37:00.008671Z",
"structure_string": "H24 C16 O8\n1.0\n5.073944 -0.057272 0.587773\n0.834787 5.786277 0.908845\n0.263129 -0.055492 13.061668\nH C O\n24 16 8\ndirect\n0.920553 0.268231 0.902384 H\n0.909297 0.825909 0.523368 H\n0.639755 0.613125 0.940226 H\n0.360245 0.386877 0.059774 H\n0.721930 0.969618 0.359938 H\n0.278070 0.030383 0.640062 H\n0.501620 0.541245 0.315357 H\n0.498380 0.458756 0.684643 H\n0.715585 0.544024 0.410291 H\n0.284415 0.455977 0.589709 H\n0.353356 0.928459 0.198962 H\n0.646644 0.071542 0.801039 H\n0.090703 0.174092 0.476633 H\n0.563818 0.810833 0.769075 H\n0.436182 0.189168 0.230925 H\n0.268630 0.923201 0.927567 H\n0.731370 0.076801 0.072433 H\n0.083453 0.928461 0.822397 H\n0.079447 0.731770 0.097616 H\n0.918923 0.355146 0.719141 H\n0.081077 0.644855 0.280859 H\n0.038305 0.592416 0.755436 H\n-0.038304 0.407585 0.244565 H\n0.916547 0.071541 0.177603 H\n0.320112 0.928234 0.411020 C\n0.679888 0.071767 0.588980 C\n0.566557 0.883316 0.335684 C\n0.433443 0.116685 0.664316 C\n0.664446 0.626881 0.332879 C\n0.335554 0.373120 0.667121 C\n0.510189 0.006760 0.226385 C\n0.489810 0.993241 0.773615 C\n0.090708 0.407338 0.748208 C\n0.764982 -0.013539 0.150707 C\n0.235017 0.013539 0.849293 C\n0.881289 0.731671 0.143132 C\n0.118711 0.268330 0.856869 C\n0.711242 0.633230 0.079953 C\n0.288757 0.366772 0.920047 C\n0.909292 0.592663 0.251792 C\n0.825319 0.221618 0.550635 O\n0.467760 0.485144 0.880388 O\n0.532240 0.514857 0.119612 O\n0.239475 0.309956 0.022523 O\n0.760524 0.690046 0.977477 O\n0.733068 0.854129 0.571021 O\n0.266932 0.145872 0.428979 O\n0.174680 0.778383 0.449365 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.491341971431016,
"density_atomic": 0.1251873698923184,
"volume": 383.42526120077326,
"volume_molar": 4.810501862272549,
"formula_full": "H24 C16 O8",
"formula_reduced": "H3C2O",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.03115225,
"spacegroup": 2
},
{
"id": "jvasp-101980",
"created_at": "2022-09-04T14:37:00.428186Z",
"updated_at": "2022-09-04T14:37:00.428217Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290900 0.112344 0.392515\n1.449612 7.644517 1.746538\n0.030209 0.037943 10.788385\nH Pb C O\n16 2 12 8\ndirect\n0.321115 0.837530 0.317204 H\n0.871772 0.127373 0.699498 H\n0.869499 0.625721 0.700306 H\n0.779177 0.360064 0.660422 H\n0.781863 0.858467 0.660466 H\n0.296699 0.857749 0.550032 H\n0.369112 0.125333 0.593674 H\n0.367581 0.626044 0.593398 H\n0.295818 0.357048 0.550089 H\n0.822952 0.837199 0.424144 H\n0.894955 0.106207 0.467435 H\n0.893843 0.605495 0.467519 H\n0.411555 0.103162 0.357130 H\n0.408610 0.604786 0.357104 H\n0.318996 0.335845 0.318012 H\n0.821620 0.337922 0.423837 H\n0.093020 0.481858 0.009030 Pb\n0.097651 0.981384 0.008520 Pb\n0.674500 0.242469 0.681758 C\n0.467916 0.248828 0.802829 C\n0.466331 0.750473 0.802410 C\n0.487214 0.238108 0.568686 C\n0.487027 0.738315 0.568632 C\n0.674321 0.741868 0.681909 C\n0.724270 0.712639 0.215155 C\n0.703510 0.724926 0.448913 C\n0.516261 0.220749 0.335770 C\n0.516233 0.721357 0.335636 C\n0.722832 0.214315 0.214703 C\n0.703543 0.225137 0.448834 C\n0.550717 0.636152 0.905365 O\n0.979171 0.595435 0.217797 O\n0.980056 0.098964 0.216234 O\n0.639983 0.826896 0.112159 O\n0.635066 0.329035 0.112285 O\n0.211366 0.867623 0.799827 O\n0.210746 0.364209 0.801341 O\n0.555629 0.133986 0.905196 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316836071739772,
"density_atomic": 0.10802370306431003,
"volume": 351.774646878911,
"volume_molar": 5.574832735010781,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394882358947368,
"spacegroup": 2
},
{
"id": "jvasp-103897",
"created_at": "2022-09-04T14:37:00.387377Z",
"updated_at": "2022-09-04T14:37:00.387395Z",
"structure_string": "Ca2 H8 C8 O8\n1.0\n4.206046 -0.031450 -0.394669\n-1.008266 7.319048 -0.768481\n-0.131326 0.100467 7.844534\nCa H C O\n2 8 8 8\ndirect\n0.685931 0.283297 0.503141 Ca\n0.685932 0.283297 0.003141 Ca\n0.471038 0.683435 0.213173 H\n0.471037 0.683435 0.713173 H\n0.436435 0.796510 0.415060 H\n0.436435 0.796510 0.915060 H\n0.900803 0.883183 0.293129 H\n0.900801 0.883183 0.793129 H\n0.935371 0.770094 0.091241 H\n0.935371 0.770094 0.591241 H\n0.076218 0.843298 0.708952 C\n0.076218 0.843298 0.208953 C\n0.295603 0.723308 0.797343 C\n0.295603 0.723309 0.297343 C\n0.244669 0.022469 0.163916 C\n0.127169 0.544128 0.842367 C\n0.127170 0.544128 0.342367 C\n0.244669 0.022469 0.663916 C\n0.265073 0.463766 0.460148 O\n0.849613 0.475004 0.263497 O\n0.849615 0.475005 0.763497 O\n0.522221 0.091591 0.242787 O\n0.522221 0.091591 0.742788 O\n0.106790 0.102825 0.046124 O\n0.106788 0.102825 0.546123 O\n0.265072 0.463767 0.960146 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.149836377826961,
"density_atomic": 0.10778472764633446,
"volume": 241.22155863594844,
"volume_molar": 5.587193001739521,
"formula_full": "Ca2 H8 C8 O8",
"formula_reduced": "CaH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 4.037564186153847,
"spacegroup": 2
},
{
"id": "jvasp-47572",
"created_at": "2022-09-04T14:37:00.549450Z",
"updated_at": "2022-09-04T14:37:00.549477Z",
"structure_string": "Li4 Co1 P2 O8\n1.0\n4.868176 0.040705 0.000433\n-0.811949 5.067494 0.117594\n-0.432864 -0.729078 6.110313\nLi Co P O\n4 1 2 8\ndirect\n0.155779 0.293845 0.517079 Li\n0.335084 0.612145 0.204750 Li\n0.664917 0.387855 0.795248 Li\n0.844222 0.706154 0.482920 Li\n0.000000 0.000000 0.000000 Co\n0.368255 0.827579 0.732706 P\n0.631747 0.172421 0.267293 P\n0.219549 0.698389 0.922436 O\n0.243162 0.678142 0.512058 O\n0.314359 0.191523 0.241387 O\n0.304525 0.116702 0.748530 O\n0.695477 0.883297 0.251469 O\n0.685643 0.808476 0.758611 O\n0.756840 0.321858 0.487940 O\n0.780452 0.301611 0.077563 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.0350284955839855,
"density_atomic": 0.09910374947008677,
"volume": 151.3565337356642,
"volume_molar": 6.076602340679056,
"formula_full": "Li4 Co1 P2 O8",
"formula_reduced": "Li4Co(PO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.442623326666667,
"spacegroup": 2
},
{
"id": "jvasp-52411",
"created_at": "2022-09-04T14:37:00.497086Z",
"updated_at": "2022-09-04T14:37:00.497107Z",
"structure_string": "Na2 Mg1 H4 S2 O8\n1.0\n5.195710 0.030838 0.004627\n-1.688401 5.632968 -0.137524\n-2.501563 -2.316526 6.671637\nNa Mg H S O\n2 1 4 2 8\ndirect\n0.344372 0.005807 0.675771 Na\n0.655629 -0.005807 0.324230 Na\n0.500001 0.500000 0.500001 Mg\n0.270217 0.236827 0.101067 H\n0.729785 0.763173 0.898934 H\n0.143774 0.043872 0.201771 H\n0.856228 0.956129 0.798230 H\n0.077357 0.400828 0.744228 S\n0.922645 0.599172 0.255774 S\n0.320401 0.195587 0.228330 O\n0.264478 0.699349 0.358176 O\n0.735524 0.300652 0.641826 O\n0.857894 0.778851 0.139629 O\n0.142108 0.221149 0.860372 O\n0.843058 0.684464 0.434605 O\n0.156944 0.315536 0.565397 O\n0.679601 0.804414 0.771671 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Na",
"Mg",
"H",
"S",
"O"
],
"chemical_system": "H-Mg-Na-O-S",
"density": 2.2800525859156444,
"density_atomic": 0.0876078091273997,
"volume": 194.04662859766893,
"volume_molar": 6.873977125991786,
"formula_full": "Na2 Mg1 H4 S2 O8",
"formula_reduced": "Na2MgH4(SO4)2",
"formula_anonymous": "AB2C2D4E8",
"energy_above_hull": 2.1964738264705885,
"spacegroup": 2
},
{
"id": "jvasp-47788",
"created_at": "2022-09-04T14:37:00.520515Z",
"updated_at": "2022-09-04T14:37:00.520542Z",
"structure_string": "Li2 Fe5 O10\n1.0\n4.948109 -0.083365 -0.108416\n0.890898 4.813962 -0.011812\n2.278010 1.893578 6.763661\nLi Fe O\n2 5 10\ndirect\n0.503812 0.759005 0.427839 Li\n0.496189 0.240994 0.572161 Li\n0.000557 0.894113 0.685351 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.993018 0.312692 0.892809 Fe\n0.006983 0.687307 0.107191 Fe\n-0.000557 0.105887 0.314649 Fe\n0.217878 0.338433 0.063244 O\n0.761694 0.213702 0.764397 O\n0.792948 0.453540 0.324726 O\n0.207053 0.546460 0.675273 O\n0.767457 0.893575 0.531177 O\n0.782123 0.661567 0.936756 O\n0.232544 0.106424 0.468823 O\n0.212155 0.957893 0.860909 O\n0.238307 0.786297 0.235602 O\n0.787846 0.042107 0.139090 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.623510591228912,
"density_atomic": 0.1044664075164275,
"volume": 162.7317374470518,
"volume_molar": 5.764667229561819,
"formula_full": "Li2 Fe5 O10",
"formula_reduced": "Li2(FeO2)5",
"formula_anonymous": "A2B5C10",
"energy_above_hull": 3.054671323529412,
"spacegroup": 2
},
{
"id": "jvasp-104018",
"created_at": "2022-09-04T14:37:00.583152Z",
"updated_at": "2022-09-04T14:37:00.583174Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.516236 -0.096829 -0.274757\n-1.852455 7.674776 -0.435164\n-0.097144 -0.119935 10.433766\nH Pb C O\n16 2 12 8\ndirect\n0.705154 0.823242 0.693314 H\n0.079190 0.134920 0.299205 H\n0.092344 0.645724 0.289072 H\n0.096609 0.353149 0.345060 H\n0.095858 0.857514 0.347652 H\n0.636153 0.897357 0.455871 H\n0.620724 0.177749 0.402480 H\n0.618980 0.679110 0.400875 H\n0.631634 0.397110 0.451880 H\n0.178486 0.789851 0.581537 H\n0.165857 0.071844 0.530517 H\n0.161304 0.571605 0.526538 H\n0.700898 0.115790 0.637300 H\n0.701608 0.611443 0.634733 H\n0.718369 0.334028 0.683155 H\n0.176789 0.291205 0.579921 H\n0.941933 0.490445 0.989186 Pb\n0.855636 0.978549 0.993222 Pb\n0.240758 0.264346 0.318879 C\n0.362506 0.324818 0.193469 C\n0.392251 0.852104 0.201892 C\n0.476799 0.264840 0.430720 C\n0.477943 0.766713 0.431641 C\n0.248558 0.775372 0.319052 C\n0.405291 0.616870 0.780517 C\n0.319517 0.702248 0.550765 C\n0.556783 0.204605 0.663499 C\n0.548931 0.693593 0.663345 C\n0.435132 0.144149 0.788928 C\n0.320701 0.204111 0.551673 C\n0.228365 0.822542 0.091881 O\n0.131226 0.524181 0.768624 O\n0.182709 0.031928 0.789632 O\n0.569199 0.646487 0.890524 O\n0.615751 0.203771 0.893891 O\n0.666350 0.944742 0.213796 O\n0.614991 0.436997 0.192799 O\n0.181938 0.265247 0.088484 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.247650551493625,
"density_atomic": 0.10577044847657294,
"volume": 359.26859106035283,
"volume_molar": 5.693594805295585,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394828148421052,
"spacegroup": 2
}
]
}