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=energy_above_hull&page=4442",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4440",
"results": [
{
"id": "jvasp-112465",
"created_at": "2022-09-04T14:38:40.867294Z",
"updated_at": "2022-09-04T14:38:40.867316Z",
"structure_string": "Ti4 Os8\n1.0\n5.141189 -0.000000 0.000000\n-2.570595 4.452400 0.000000\n0.000000 0.000000 8.357261\nTi Os\n4 8\ndirect\n0.333333 0.666667 0.430396 Ti\n0.666666 0.333333 0.569604 Ti\n0.666666 0.333333 0.930396 Ti\n0.333333 0.666667 0.069604 Ti\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.826381 0.173619 0.250000 Os\n0.826380 0.652760 0.250000 Os\n0.347240 0.173619 0.250000 Os\n0.173619 0.826381 0.750000 Os\n0.173619 0.347240 0.750000 Os\n0.652760 0.826381 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Os"
],
"chemical_system": "Os-Ti",
"density": 14.871775846196556,
"density_atomic": 0.06272772498202105,
"volume": 191.30296855879,
"volume_molar": 9.600445037224064,
"formula_full": "Ti4 Os8",
"formula_reduced": "TiOs2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.593359444444445,
"spacegroup": 194
},
{
"id": "jvasp-112002",
"created_at": "2022-09-04T14:38:41.585190Z",
"updated_at": "2022-09-04T14:38:41.585210Z",
"structure_string": "H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5240735300306325,
"density_atomic": 0.12912853826022352,
"volume": 154.88442965020968,
"volume_molar": 4.663679184429401,
"formula_full": "H10 C6 N2 O2",
"formula_reduced": "H5C3NO",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 4.593955674999999,
"spacegroup": 6
},
{
"id": "jvasp-71807",
"created_at": "2022-09-04T14:36:10.361190Z",
"updated_at": "2022-09-04T14:36:10.361207Z",
"structure_string": "Be1 Mo2 Ru1\n1.0\n-1.804421 1.804421 4.225482\n1.804421 -1.804421 4.225482\n1.804421 1.804421 -4.225482\nBe Mo Ru\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Ru"
],
"chemical_system": "Be-Mo-Ru",
"density": 9.111495383435553,
"density_atomic": 0.07268553616704389,
"volume": 55.03158139753294,
"volume_molar": 8.285198235533523,
"formula_full": "Be1 Mo2 Ru1",
"formula_reduced": "BeMo2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5942746,
"spacegroup": 139
},
{
"id": "jvasp-101936",
"created_at": "2022-09-04T14:36:56.594242Z",
"updated_at": "2022-09-04T14:36:56.594262Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.500199 -0.042515 0.348140\n1.555354 3.767795 0.562593\n0.132424 0.068022 9.015051\nZr H C O\n1 6 5 4\ndirect\n0.107992 0.972086 0.328082 Zr\n0.591816 0.107570 0.908868 H\n0.936832 0.308579 0.914026 H\n0.913734 0.589791 0.602979 H\n0.862384 0.183035 0.660787 H\n0.104204 0.661586 0.770524 H\n0.435506 0.882758 0.776735 H\n0.495632 0.494479 0.483536 C\n0.686128 0.466159 0.631254 C\n0.432838 0.466350 0.067254 C\n0.429094 0.619408 0.772710 C\n0.604540 0.368911 0.912582 C\n0.766942 0.575141 0.348870 O\n0.507918 0.155498 0.463330 O\n0.233905 0.779645 0.093177 O\n0.512711 0.208908 0.174722 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.082845704753225,
"density_atomic": 0.13421363412942458,
"volume": 119.21292574918965,
"volume_molar": 4.4869813704565535,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.595319906249999,
"spacegroup": 1
},
{
"id": "jvasp-101935",
"created_at": "2022-09-04T14:37:03.566780Z",
"updated_at": "2022-09-04T14:37:03.566800Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.497682 -0.006282 0.378631\n1.509196 3.780050 0.603957\n0.051810 0.000040 9.016466\nZr H C O\n1 6 5 4\ndirect\n0.074543 0.963657 0.328095 Zr\n0.558497 0.098884 0.908844 H\n0.903377 0.299906 0.914074 H\n0.879902 0.581879 0.602993 H\n0.829504 0.174734 0.660711 H\n0.070791 0.652945 0.770522 H\n0.401829 0.874194 0.776901 H\n0.462156 0.486078 0.483573 C\n0.652751 0.457833 0.631266 C\n0.399327 0.457753 0.067278 C\n0.395620 0.610822 0.772769 C\n0.571104 0.360249 0.912606 C\n0.733544 0.566645 0.348882 O\n0.474522 0.147103 0.463352 O\n0.200404 0.771114 0.093199 O\n0.479204 0.200336 0.174731 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.0826242117836085,
"density_atomic": 0.13420399129315144,
"volume": 119.22149144618245,
"volume_molar": 4.487303769412792,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.595323656249999,
"spacegroup": 1
},
{
"id": "jvasp-75665",
"created_at": "2022-09-04T14:35:57.795830Z",
"updated_at": "2022-09-04T14:35:57.795842Z",
"structure_string": "Re2 As1 Pd1\n1.0\n0.000000 3.152081 3.152081\n3.152081 0.000000 3.152081\n3.152081 3.152081 0.000000\nRe As Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Re\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Re",
"As",
"Pd"
],
"chemical_system": "As-Pd-Re",
"density": 14.680644614297005,
"density_atomic": 0.06386131957519506,
"volume": 62.63572420062669,
"volume_molar": 9.43002869351781,
"formula_full": "Re2 As1 Pd1",
"formula_reduced": "Re2AsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5954383625,
"spacegroup": 216
},
{
"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-112215",
"created_at": "2022-09-04T14:38:46.233346Z",
"updated_at": "2022-09-04T14:38:46.233366Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.784041 0.319975 0.219789\n1.719777 4.491322 0.240225\n0.485995 0.116446 17.607443\nCd H C O\n1 20 12 4\ndirect\n0.618679 0.013553 0.151592 Cd\n0.065778 0.778514 0.491713 H\n0.359768 0.305879 0.411267 H\n0.303660 0.212004 0.954601 H\n0.755232 0.181240 0.835170 H\n0.170265 0.248747 0.811438 H\n0.623408 0.222809 0.694046 H\n0.038187 0.290777 0.670205 H\n0.491127 0.264389 0.552810 H\n0.906112 0.332203 0.529070 H\n0.905543 0.126069 0.974531 H\n0.775154 0.372382 0.387817 H\n0.461614 0.655027 0.915464 H\n-0.122947 0.721348 0.891901 H\n0.329844 0.695360 0.774212 H\n0.744882 0.763049 0.750409 H\n0.197401 0.736650 0.633020 H\n0.612074 0.804806 0.609219 H\n0.933306 0.815259 0.348520 H\n0.331506 0.901114 0.328648 H\n0.480692 0.846279 0.468080 H\n0.907793 0.473429 0.042722 C\n-0.016461 0.321003 0.966522 C\n0.778434 0.537335 0.900453 C\n0.852847 0.366427 0.826240 C\n0.647191 0.577959 0.759380 C\n0.720830 0.408050 0.685045 C\n0.458251 0.489978 0.402756 C\n0.588718 0.449539 0.543861 C\n0.383266 0.660978 0.476973 C\n0.253458 0.706204 0.336648 C\n0.329455 0.553682 0.260457 C\n0.514783 0.619483 0.618200 C\n0.980471 0.302574 0.104099 O\n0.256914 0.724474 0.199069 O\n0.458203 0.261873 0.260684 O\n0.779068 0.765230 0.042507 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.957226245404512,
"density_atomic": 0.1280049834084904,
"volume": 289.05124640284777,
"volume_molar": 4.704614304571332,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595553074324325,
"spacegroup": 2
},
{
"id": "jvasp-101968",
"created_at": "2022-09-04T14:36:59.181650Z",
"updated_at": "2022-09-04T14:36:59.181676Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.776491 0.025053 0.424300\n1.946874 4.207925 1.376745\n1.263730 0.386175 18.594038\nCd H C O\n1 20 12 4\ndirect\n0.578322 0.791255 0.155972 Cd\n0.095619 0.217191 0.493157 H\n0.351565 0.816253 0.416611 H\n0.185601 0.100647 0.971102 H\n0.678286 0.329160 0.840144 H\n0.157408 0.309541 0.821425 H\n0.608167 0.478004 0.700637 H\n0.060793 0.509307 0.674478 H\n0.494214 0.639703 0.558499 H\n-0.073055 0.703590 0.531750 H\n0.693100 0.176271 0.978156 H\n0.773796 0.894358 0.389781 H\n0.520314 0.761837 0.906518 H\n0.019340 0.688497 0.896340 H\n0.408227 0.911311 0.767999 H\n-0.115636 0.899113 0.748293 H\n0.252920 0.054453 0.631247 H\n0.697548 0.099943 0.606863 H\n0.929096 0.388917 0.352121 H\n0.329982 0.489526 0.331087 H\n0.523967 0.287039 0.467365 H\n0.849057 0.367517 0.048124 C\n0.891862 0.292755 0.973419 C\n0.815772 0.575747 0.901701 C\n0.851472 0.472199 0.830438 C\n0.715513 0.752517 0.758500 C\n0.749886 0.646081 0.687840 C\n0.460541 0.003588 0.405845 C\n0.613117 0.822393 0.546516 C\n0.410098 0.101782 0.478410 C\n0.247908 0.288964 0.339810 C\n0.307421 0.217824 0.264053 C\n0.566758 0.925313 0.618213 C\n0.732620 0.657918 0.047146 O\n0.223316 0.454100 0.202934 O\n0.433085 0.927282 0.264324 O\n0.930481 0.132717 0.109544 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.946306579781911,
"density_atomic": 0.12729082395956148,
"volume": 290.67295543435546,
"volume_molar": 4.731009331759178,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.5955698310810815,
"spacegroup": 1
},
{
"id": "jvasp-101969",
"created_at": "2022-09-04T14:37:03.211668Z",
"updated_at": "2022-09-04T14:37:03.211696Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.884237 0.060889 0.996410\n0.969921 4.201700 0.264656\n-0.139488 0.102302 17.366804\nCd H C O\n1 20 12 4\ndirect\n0.469476 0.970536 0.858316 Cd\n0.188781 0.709663 0.515973 H\n0.240256 0.182165 0.589964 H\n0.413082 0.798928 0.016820 H\n0.058032 0.362450 0.146819 H\n0.607237 0.387594 0.189443 H\n0.143707 0.281989 0.294651 H\n0.683728 0.334240 0.330318 H\n0.203993 0.225953 0.441197 H\n0.741443 0.289766 0.473975 H\n0.535586 0.406659 0.055069 H\n0.774387 0.259475 0.618932 H\n0.894891 0.915802 0.087380 H\n0.452078 0.943496 0.136231 H\n0.039721 0.825688 0.229088 H\n0.581588 0.875860 0.265910 H\n0.125400 0.761158 0.371461 H\n0.663665 0.823874 0.404974 H\n0.238514 0.656623 0.663910 H\n0.768580 0.768704 0.686374 H\n0.724753 0.784903 0.546272 H\n0.941295 0.549130 0.966933 C\n0.625012 0.625619 0.036766 C\n0.698453 0.772689 0.108175 C\n0.805144 0.531679 0.171686 C\n0.830239 0.693616 0.245223 C\n0.894723 0.464961 0.314073 C\n-0.002448 0.375498 0.603608 C\n0.957797 0.414481 0.458220 C\n0.967234 0.591072 0.530940 C\n-0.001151 0.564376 0.675646 C\n-0.008365 0.357326 0.749524 C\n0.909760 0.635662 0.387214 C\n0.172477 0.290435 0.967084 O\n0.721350 0.423975 0.808547 O\n0.250867 0.116633 0.748837 O\n0.963704 0.760895 0.910555 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9991969909687943,
"density_atomic": 0.1307499213543269,
"volume": 282.9829618002716,
"volume_molar": 4.605846563899833,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595710371621623,
"spacegroup": 1
},
{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9920270042642596,
"density_atomic": 0.13028099547960598,
"volume": 284.0015142944769,
"volume_molar": 4.622424581444574,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.59571739864865,
"spacegroup": 2
},
{
"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,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"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",
"energy_above_hull": 4.595727128378379,
"spacegroup": 1
}
]
}