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=-id&page=4511",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4509",
"results": [
{
"id": "jvasp-101972",
"created_at": "2022-09-04T14:36:30.949834Z",
"updated_at": "2022-09-04T14:36:30.949844Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n5.509799 0.002296 0.013955\n2.750153 5.098811 0.867817\n-0.020605 0.004686 9.396726\nSn H C Cl\n2 8 4 4\ndirect\n0.820477 0.000100 0.250021 Sn\n0.179821 0.000083 0.749964 Sn\n0.970547 0.281476 0.485082 H\n0.252596 0.719130 0.015034 H\n0.747701 0.281053 0.984953 H\n0.029742 0.718706 0.514905 H\n0.268526 0.815403 0.432891 H\n0.917428 0.814484 0.933234 H\n0.082865 0.185702 0.066752 H\n0.731771 0.184774 0.567098 H\n0.946622 0.114906 0.539954 C\n0.053671 0.885278 0.460035 C\n0.061819 0.885157 0.960132 C\n0.938476 0.115031 0.039855 C\n0.327229 0.314057 0.794351 Cl\n0.641199 0.686334 0.705467 Cl\n0.359099 0.313846 0.294521 Cl\n0.673071 0.686124 0.205637 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.7392181152305315,
"density_atomic": 0.06820608560792318,
"volume": 263.9060699579133,
"volume_molar": 8.829330559472007,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.985714426111111,
"spacegroup": 15
},
{
"id": "jvasp-101971",
"created_at": "2022-09-04T14:36:59.017320Z",
"updated_at": "2022-09-04T14:36:59.017335Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n5.878644 0.000490 3.238969\n2.678568 6.062462 2.092291\n0.003532 -0.160203 6.948355\nSn H C Cl\n2 8 4 4\ndirect\n0.226090 0.749900 0.249938 Sn\n0.773892 0.249879 0.749924 Sn\n0.718534 0.649656 0.552031 H\n0.920215 0.850157 0.948014 H\n0.079781 0.149611 0.051828 H\n0.281461 0.350113 0.447813 H\n0.079251 0.552254 0.649787 H\n0.718467 0.052452 0.149832 H\n0.281527 0.947307 0.850021 H\n0.920745 0.447507 0.350067 H\n0.887934 0.496788 0.502939 C\n0.112058 0.502981 0.496910 C\n0.887800 0.003032 -0.003038 C\n0.112196 -0.003264 0.002886 C\n0.697385 0.057109 0.557209 Cl\n0.311882 0.442658 0.942636 Cl\n0.688104 0.557109 0.057214 Cl\n0.302616 0.942660 0.442640 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.9133194170733847,
"density_atomic": 0.07254117971084209,
"volume": 248.13492242268703,
"volume_molar": 8.301685723895009,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.9827766483333336,
"spacegroup": 74
},
{
"id": "jvasp-101970",
"created_at": "2022-09-04T14:37:03.550194Z",
"updated_at": "2022-09-04T14:37:03.550214Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960457 0.004963 0.004854\n1.969007 5.897743 1.593839\n-0.011826 0.021973 10.401788\nSn H C Cl\n2 8 4 4\ndirect\n0.987391 0.972480 0.270653 Sn\n0.980478 0.972513 0.770646 Sn\n0.926828 0.743377 0.592761 H\n0.697436 0.201401 0.948589 H\n0.270439 0.743570 0.092719 H\n0.040989 0.201640 0.448533 H\n0.623504 0.150405 0.453914 H\n0.165962 0.150728 0.953876 H\n0.801903 0.794244 0.087432 H\n0.344328 0.794602 0.587377 H\n0.055611 0.874801 0.580355 C\n0.912221 0.070208 0.460938 C\n0.957744 0.070220 0.960942 C\n0.010127 0.874749 0.080365 C\n0.643079 0.670444 0.861298 Cl\n0.341333 0.274573 0.679986 Cl\n0.626510 0.670419 0.361319 Cl\n0.324768 0.274539 0.179989 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.978282376188953,
"density_atomic": 0.07415874682831407,
"volume": 242.72254817994764,
"volume_molar": 8.120607504252924,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.982983315,
"spacegroup": 15
},
{
"id": "jvasp-10197",
"created_at": "2022-09-04T14:38:04.746785Z",
"updated_at": "2022-09-04T14:38:04.746811Z",
"structure_string": "Ca2 Sn2 O6\n1.0\n4.962129 -0.000000 2.864886\n1.654043 4.678340 2.864886\n-0.000000 0.000000 5.729773\nCa Sn O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750001 Sn\n0.500000 0.500000 0.000001 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.163015127321696,
"density_atomic": 0.07518007452500564,
"volume": 133.01396763944282,
"volume_molar": 8.010288361708097,
"formula_full": "Ca2 Sn2 O6",
"formula_reduced": "CaSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.095836093333333,
"spacegroup": 221
},
{
"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-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-101967",
"created_at": "2022-09-04T14:37:02.135688Z",
"updated_at": "2022-09-04T14:37:02.135697Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.007552 0.063583 0.101066\n1.006004 4.204570 0.045652\n-0.271822 0.023092 16.853480\nCd H C O\n1 20 12 4\ndirect\n0.325071 0.953537 0.857146 Cd\n0.702700 0.693036 0.514784 H\n0.828862 0.165146 0.588874 H\n0.426208 0.782179 0.015445 H\n0.202924 0.345056 0.145520 H\n0.794153 0.369845 0.188163 H\n0.436286 0.264405 0.293435 H\n0.011189 0.317018 0.329097 H\n0.643390 0.208542 0.440006 H\n0.212828 0.272659 0.472757 H\n0.587566 0.389172 0.053666 H\n0.391008 0.242222 0.617683 H\n0.979097 0.899116 0.086149 H\n0.584558 0.926383 0.134986 H\n0.266209 0.808873 0.227851 H\n0.844131 0.859093 0.264638 H\n0.494719 0.744284 0.370215 H\n0.065696 0.807407 0.403713 H\n0.899557 0.640848 0.662882 H\n0.451032 0.752224 0.685207 H\n0.268159 0.768486 0.545032 H\n0.905097 0.532294 0.965606 C\n0.659094 0.608520 0.035427 C\n0.803509 0.755108 0.106879 C\n0.974187 0.514747 0.170420 C\n0.072728 0.676181 0.243965 C\n0.206210 0.448178 0.312848 C\n0.598990 0.359057 0.602445 C\n0.413693 0.397855 0.457012 C\n0.495873 0.573905 0.529733 C\n0.671536 0.547502 0.674527 C\n0.738808 0.341103 0.748424 C\n0.294534 0.618373 0.385974 C\n0.135780 0.273529 0.965528 O\n0.528266 0.407541 0.807374 O\n-0.002055 0.101283 0.747872 O\n0.871201 0.743985 0.909429 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9989600393746378,
"density_atomic": 0.13073442443109184,
"volume": 283.01650587448864,
"volume_molar": 4.606392529133885,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595870101351352,
"spacegroup": 1
},
{
"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-101965",
"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.060824388255375,
"density_atomic": 0.12917027651644744,
"volume": 263.2184502265947,
"volume_molar": 4.662172229098845,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563925110294118,
"spacegroup": 1
},
{
"id": "jvasp-101964",
"created_at": "2022-09-04T14:36:58.793554Z",
"updated_at": "2022-09-04T14:36:58.793584Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.823671 -0.080745 0.006662\n-0.766658 4.230354 -0.835623\n-0.123010 -0.149879 16.232542\nCd H C O\n1 18 11 4\ndirect\n0.249253 0.301960 0.151192 Cd\n0.176756 0.927612 0.477423 H\n0.145911 0.329152 0.388105 H\n0.425430 0.783553 0.893245 H\n0.626900 0.657977 0.703146 H\n0.189321 0.662061 0.736234 H\n0.391258 0.508311 0.546105 H\n0.958340 0.523931 0.581000 H\n0.745945 0.950341 0.511917 H\n0.865460 0.771492 0.861886 H\n0.850876 0.292956 0.929772 H\n0.420284 0.311533 0.961512 H\n0.657099 0.213337 0.779413 H\n0.220233 0.217747 0.812013 H\n0.429697 0.084903 0.628342 H\n0.993342 0.090366 0.661408 H\n0.895545 0.755563 0.323865 H\n0.480482 0.786950 0.366528 H\n0.727429 0.378272 0.427229 H\n0.833937 0.667390 0.030679 C\n0.670952 0.461989 0.947937 C\n0.612638 0.622417 0.875174 C\n0.465884 0.372340 0.796471 C\n0.382868 0.505089 0.719946 C\n0.900989 0.202813 0.412000 C\n0.147694 0.362443 0.565442 C\n0.990552 0.092500 0.491868 C\n0.718561 0.924800 0.343191 C\n0.604321 0.015480 0.263749 C\n0.236251 0.242578 0.643814 C\n0.036377 0.935679 0.031475 O\n0.334040 0.844983 0.219332 O\n0.767599 0.272236 0.243193 O\n0.774581 0.548238 0.096623 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.077693173060795,
"density_atomic": 0.13022759397165146,
"volume": 261.08138039777714,
"volume_molar": 4.624320066383879,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563881875,
"spacegroup": 1
},
{
"id": "jvasp-101963",
"created_at": "2022-09-04T14:36:56.653204Z",
"updated_at": "2022-09-04T14:36:56.653227Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.902547 -0.072531 -0.427097\n-1.027564 4.171866 -0.459337\n-0.543155 -0.082542 15.551312\nCd H C O\n1 16 10 4\ndirect\n0.447590 0.962721 0.152575 Cd\n0.581191 0.849410 0.524062 H\n0.209808 0.619444 0.951843 H\n0.748971 0.561311 0.952237 H\n0.002379 0.530157 0.774426 H\n0.559883 0.459683 0.792815 H\n0.746348 0.415546 0.604633 H\n0.316782 0.352364 0.631521 H\n0.456801 0.288828 0.439012 H\n0.028724 0.220033 0.468039 H\n0.088433 0.080339 0.859304 H\n0.637045 -0.006916 0.871648 H\n0.858759 0.973638 0.688823 H\n0.422579 0.895069 0.711769 H\n0.302584 0.716883 0.361915 H\n0.883430 0.643409 0.393572 H\n0.154879 0.782958 0.552726 H\n-0.020436 0.276298 0.032256 C\n-0.039988 0.434906 0.949876 C\n0.865945 0.190260 0.865681 C\n0.771725 0.338921 0.783340 C\n0.645198 0.089624 0.700477 C\n0.239488 0.102831 0.455419 C\n0.374608 0.971656 0.537678 C\n0.096969 0.834694 0.377266 C\n0.927005 0.930635 0.294418 C\n0.522475 0.228338 0.618471 C\n0.245805 0.392574 0.095745 O\n0.955130 0.790834 0.218760 O\n0.729907 0.122624 0.298618 O\n0.731109 0.028299 0.034792 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0694998079069933,
"density_atomic": 0.12357476051884304,
"volume": 250.86028789246998,
"volume_molar": 4.873277305750252,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.52577754032258,
"spacegroup": 1
},
{
"id": "jvasp-101962",
"created_at": "2022-09-04T14:36:56.198411Z",
"updated_at": "2022-09-04T14:36:56.198433Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.065714 0.112645 0.006373\n1.661212 4.600241 0.421554\n-0.196405 -0.084424 11.801700\nCd H C O\n1 14 9 4\ndirect\n0.081011 0.991636 0.166704 Cd\n0.152708 0.674753 0.628172 H\n0.584718 0.420846 0.754432 H\n0.899389 0.555706 0.802519 H\n0.625172 0.004419 0.660717 H\n0.181719 0.230868 0.672875 H\n0.014757 -0.002148 0.535911 H\n0.763248 0.533944 0.547470 H\n0.885331 0.171147 0.940510 H\n0.913491 0.594420 0.019503 H\n0.099707 0.871349 0.818425 H\n0.426147 0.005107 0.861060 H\n0.354953 0.336684 0.458788 H\n0.122187 0.682690 0.382386 H\n0.601651 0.859820 0.454870 H\n0.431675 0.398952 0.017416 C\n0.662108 0.381327 0.933594 C\n0.634358 0.553095 0.820175 C\n0.366304 0.866714 0.800479 C\n0.522993 0.692594 0.502020 C\n0.244636 0.840608 0.586259 C\n0.383823 0.533352 0.416423 C\n0.626080 0.445962 0.318484 C\n0.362233 -0.000626 0.678208 C\n0.127230 0.651850 0.023320 O\n0.598362 0.633332 0.234091 O\n0.860035 0.187132 0.326032 O\n0.480486 0.189615 0.100409 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.2677161270158765,
"density_atomic": 0.12805143846224118,
"volume": 218.66212778434678,
"volume_molar": 4.702907544280155,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.481590133928571,
"spacegroup": 1
}
]
}