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=elements&page=4439",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4437",
"results": [
{
"id": "jvasp-112106",
"created_at": "2022-09-04T14:38:44.146051Z",
"updated_at": "2022-09-04T14:38:44.146071Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.630112 0.072551 -0.797973\n-1.251454 6.412514 -0.928916\n0.157777 0.161288 7.084569\nSn H C O\n1 10 6 6\ndirect\n0.174252 0.698058 0.270444 Sn\n0.967608 0.098589 0.035589 H\n0.919428 0.912992 0.827751 H\n0.380870 0.297536 0.505284 H\n0.429063 0.483119 0.713132 H\n0.927685 0.381307 0.822189 H\n0.866065 0.197479 0.611832 H\n0.419618 0.453996 0.096865 H\n0.482404 0.198626 0.929021 H\n0.928857 0.942093 0.444022 H\n0.420804 0.014788 0.718673 H\n0.799326 0.994123 0.926588 C\n0.549159 0.401993 0.614287 C\n0.755630 0.276704 0.717982 C\n0.651541 0.838944 0.033944 C\n0.696948 0.557179 0.506939 C\n0.592850 0.119398 0.822880 C\n0.939220 0.526717 0.456802 O\n0.115096 0.970314 0.397192 O\n0.233384 0.425796 0.143702 O\n0.409260 0.869402 0.084069 O\n0.766040 0.679090 0.073204 O\n0.582456 0.717045 0.467697 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.318145628461342,
"density_atomic": 0.10816391560610943,
"volume": 212.64023099678624,
"volume_molar": 5.567606096963312,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.222874899999999,
"spacegroup": 2
},
{
"id": "jvasp-112008",
"created_at": "2022-09-04T14:38:42.612424Z",
"updated_at": "2022-09-04T14:38:42.612451Z",
"structure_string": "Sn1 H16 C9 O6\n1.0\n4.792273 -0.004336 -0.418844\n-0.471368 6.277800 -1.412228\n0.235952 0.015007 9.262890\nSn H C O\n1 16 9 6\ndirect\n0.943792 0.921931 0.101635 Sn\n0.166210 0.452911 0.504227 H\n0.977309 0.741686 0.841852 H\n0.296484 0.614905 0.678939 H\n0.731887 0.715129 0.571525 H\n0.427574 0.782682 0.479632 H\n0.435359 0.440993 0.285048 H\n0.775230 0.403512 0.359222 H\n0.297745 0.047432 0.308528 H\n0.141523 0.093844 0.577739 H\n0.598595 0.232702 0.518648 H\n0.669357 0.383134 0.701371 H\n0.509883 0.450902 0.938675 H\n0.216716 0.409360 0.039444 H\n0.043307 0.398457 0.789545 H\n0.987899 0.143969 0.823327 H\n0.418819 0.030733 0.691409 H\n0.343235 0.333385 0.949602 C\n0.151563 0.259936 0.806436 C\n0.499603 0.321124 0.615593 C\n0.301011 0.163683 0.668833 C\n0.542785 0.647832 0.499080 C\n0.357857 0.510856 0.576333 C\n0.749911 0.666858 0.259164 C\n0.470125 0.151441 0.999926 C\n0.626644 0.522938 0.348279 C\n0.609557 0.818620 0.226240 O\n0.829603 0.723625 0.906826 O\n0.135578 0.119645 0.280265 O\n0.327370 0.976278 0.993087 O\n0.729004 0.177975 0.049563 O\n-0.006226 0.646359 0.211837 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.0144760810514253,
"density_atomic": 0.11453898164911443,
"volume": 279.3808670137361,
"volume_molar": 5.257721583773624,
"formula_full": "Sn1 H16 C9 O6",
"formula_reduced": "SnH16(C3O2)3",
"formula_anonymous": "AB6C9D16",
"energy_above_hull": 4.429896021875,
"spacegroup": 1
},
{
"id": "jvasp-112022",
"created_at": "2022-09-04T14:38:41.871303Z",
"updated_at": "2022-09-04T14:38:41.871329Z",
"structure_string": "Sn1 H16 C9 O4\n1.0\n4.545282 -0.042847 -0.678859\n-1.668449 6.608479 -1.023137\n-0.133470 0.207882 8.623417\nSn H C O\n1 16 9 4\ndirect\n0.200741 0.658651 0.381635 Sn\n0.002557 0.207637 0.963466 H\n0.939905 0.268979 0.394684 H\n0.629106 -0.010157 0.524358 H\n0.259667 0.044722 0.497862 H\n0.454916 0.033529 0.333520 H\n0.864382 0.048226 0.778103 H\n0.834175 0.325901 0.197675 H\n0.205089 0.284485 0.262661 H\n0.447433 0.230380 0.720933 H\n0.004104 0.349286 0.666196 H\n0.071674 0.536967 0.831011 H\n0.792638 0.738700 0.941464 H\n0.965947 0.933191 0.100708 H\n0.483648 0.074446 0.038024 H\n0.377474 0.900566 0.858380 H\n0.587308 0.387195 0.907163 H\n0.575068 0.988360 0.949627 C\n0.742344 0.847719 0.030920 C\n0.886728 0.438681 0.737788 C\n0.656410 0.299262 0.810215 C\n0.574118 0.731605 0.140760 C\n0.766970 0.570420 0.627465 C\n0.020063 0.343289 0.299022 C\n0.414227 0.973413 0.441729 C\n0.792170 0.134848 0.874731 C\n0.963893 0.705670 0.582886 O\n0.720670 0.686334 0.266432 O\n0.284870 0.687947 0.115772 O\n0.481533 0.541660 0.581698 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.9677943982803998,
"density_atomic": 0.11582737332325596,
"volume": 259.0061324819542,
"volume_molar": 5.199237958365121,
"formula_full": "Sn1 H16 C9 O4",
"formula_reduced": "SnH16C9O4",
"formula_anonymous": "AB4C9D16",
"energy_above_hull": 4.512344523333334,
"spacegroup": 1
},
{
"id": "jvasp-112025",
"created_at": "2022-09-04T14:38:41.875693Z",
"updated_at": "2022-09-04T14:38:41.875733Z",
"structure_string": "Sn1 H24 C13 O6\n1.0\n5.032208 0.042799 -0.395730\n-2.876671 7.515382 -3.052561\n-0.141134 -0.078296 9.601137\nSn H C O\n1 24 13 6\ndirect\n0.005842 0.586833 0.161055 Sn\n0.863424 0.364105 0.554710 H\n0.019525 0.769302 0.011864 H\n0.852177 0.346736 0.731886 H\n0.515845 0.011277 0.565353 H\n0.887482 0.075338 0.580164 H\n0.812817 0.112639 0.327997 H\n0.437091 0.015492 0.310295 H\n0.982658 0.795365 0.555456 H\n0.918553 0.006967 0.793903 H\n0.562112 0.539345 0.474647 H\n0.478747 0.719257 0.594545 H\n0.120284 0.543976 0.397203 H\n0.329377 0.259526 0.678725 H\n0.041811 0.663277 0.650629 H\n0.433741 0.897114 0.784937 H\n0.410082 0.101788 0.800558 H\n0.932382 0.867305 0.886806 H\n0.144311 0.139396 0.123943 H\n0.497750 0.275845 0.232975 H\n0.712136 0.142107 0.030439 H\n0.320427 0.271088 0.498169 H\n0.455363 0.965518 0.052193 H\n0.650741 0.584632 0.803055 H\n0.298920 0.541420 0.722172 H\n0.343197 0.996986 0.843959 C\n0.498236 0.527861 0.692546 C\n0.361397 0.206605 0.116718 C\n0.015400 0.909527 0.798779 C\n0.482892 0.074593 0.014402 C\n0.452501 0.328486 0.615463 C\n0.695400 0.093850 0.536038 C\n0.919828 0.748342 0.644547 C\n0.648241 0.023238 0.359621 C\n0.731395 0.291566 0.612733 C\n0.665235 0.839969 0.298594 C\n0.353561 0.347905 0.060554 C\n0.602047 0.632988 0.594630 C\n0.906483 0.827950 0.274290 O\n0.114479 0.684821 0.008326 O\n0.943245 0.488631 0.318994 O\n0.576768 0.447151 0.038252 O\n0.112669 0.363085 0.029986 O\n0.453386 0.704595 0.283535 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8091110493769493,
"density_atomic": 0.12134784386967316,
"volume": 362.5939991752612,
"volume_molar": 4.962709322192607,
"formula_full": "Sn1 H24 C13 O6",
"formula_reduced": "SnH24C13O6",
"formula_anonymous": "AB6C13D24",
"energy_above_hull": 4.574133470454546,
"spacegroup": 1
},
{
"id": "jvasp-112009",
"created_at": "2022-09-04T14:38:41.679503Z",
"updated_at": "2022-09-04T14:38:41.679539Z",
"structure_string": "Sn1 H12 C7 O6\n1.0\n4.458250 -0.205343 -0.791939\n-2.154830 5.626038 -1.003487\n-0.229940 0.428830 9.342442\nSn H C O\n1 12 7 6\ndirect\n0.229003 0.663066 0.392361 Sn\n0.667091 0.074521 0.407305 H\n0.841381 0.008568 0.803207 H\n0.775079 0.302707 0.241134 H\n0.557830 0.388184 0.857390 H\n0.410860 0.149525 0.700624 H\n0.024127 0.257574 0.954054 H\n0.105878 0.547047 0.793734 H\n0.795094 0.729044 0.987951 H\n0.996810 0.987245 0.128089 H\n0.517140 0.114845 0.046797 H\n0.337112 0.865932 0.899561 H\n0.961620 0.305013 0.644540 H\n0.575025 0.992082 0.971879 C\n0.752013 0.861308 0.061981 C\n0.880989 0.422584 0.710924 C\n0.632002 0.272780 0.785562 C\n0.777739 0.565452 0.605440 C\n0.584073 0.736261 0.170269 C\n0.786366 0.132535 0.878715 C\n0.000771 0.721737 0.562556 O\n0.492102 0.008868 0.457494 O\n0.956333 0.309993 0.321150 O\n0.732972 0.668949 0.277046 O\n0.285795 0.704544 0.162077 O\n0.476256 0.530279 0.563851 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2272640235650547,
"density_atomic": 0.11217806567156847,
"volume": 231.7743655530842,
"volume_molar": 5.368376361232186,
"formula_full": "Sn1 H12 C7 O6",
"formula_reduced": "SnH12C7O6",
"formula_anonymous": "AB6C7D12",
"energy_above_hull": 4.30821895,
"spacegroup": 1
},
{
"id": "jvasp-112075",
"created_at": "2022-09-04T14:38:42.393732Z",
"updated_at": "2022-09-04T14:38:42.393760Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.036731 0.064214 -0.153047\n-0.789998 6.229083 -0.617983\n-0.038330 0.130894 7.177848\nSn H C O\n1 12 7 4\ndirect\n0.869387 0.647669 0.643925 Sn\n0.850644 0.240430 0.490554 H\n0.029063 0.421676 0.343729 H\n0.089755 0.905528 0.934183 H\n0.957270 0.068515 0.767465 H\n0.265724 -0.042430 0.724859 H\n0.186565 0.351526 0.557101 H\n0.530118 0.422639 0.205808 H\n0.831954 0.135878 0.145523 H\n0.599987 0.000808 0.975983 H\n0.288645 0.889047 0.205432 H\n0.399228 0.103851 0.364488 H\n0.297288 0.298354 0.029956 H\n0.471597 0.989335 0.259063 C\n0.618129 0.105275 0.106896 C\n0.509654 0.318117 0.073956 C\n0.666005 0.437036 0.931566 C\n-0.001185 0.379808 0.486989 C\n0.070183 0.932938 0.786164 C\n0.639828 0.852740 0.366596 C\n0.526197 0.756410 0.503150 O\n0.535901 0.529258 0.806111 O\n0.917256 0.448026 0.928462 O\n0.881116 0.836397 0.337403 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.049497499711855,
"density_atomic": 0.10621738972361106,
"volume": 225.9517020937019,
"volume_molar": 5.669637312374415,
"formula_full": "Sn1 H12 C7 O4",
"formula_reduced": "SnH12C7O4",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 4.401406070833334,
"spacegroup": 1
},
{
"id": "jvasp-112024",
"created_at": "2022-09-04T14:38:41.907832Z",
"updated_at": "2022-09-04T14:38:41.907857Z",
"structure_string": "Sn1 H20 C11 O6\n1.0\n4.709916 0.000782 -0.319345\n-0.311508 6.722392 -1.711199\n0.092480 -0.116277 10.391617\nSn H C O\n1 20 11 6\ndirect\n0.300060 0.597146 0.900496 Sn\n0.963099 0.815361 0.560646 H\n0.953231 0.584226 0.713374 H\n0.940222 0.873407 0.404645 H\n0.528352 0.100562 0.492126 H\n0.870419 0.180832 0.570212 H\n0.780590 0.038034 0.756139 H\n0.433353 0.945972 0.687186 H\n0.768293 0.104787 0.272400 H\n0.081979 0.194063 0.372903 H\n0.229174 0.558440 0.125485 H\n0.789706 0.468352 0.506555 H\n0.808540 0.199320 0.024415 H\n0.102141 0.078407 0.945991 H\n0.308281 0.236200 0.159892 H\n0.240431 0.989309 0.169560 H\n0.760684 0.437893 0.206507 H\n0.064772 0.518613 0.317956 H\n0.470581 0.719520 0.346022 H\n0.415984 0.715401 0.512152 H\n0.491497 0.379908 0.395288 H\n0.577553 0.697686 0.438341 C\n0.871642 0.419547 0.298617 C\n0.959881 0.082794 0.026913 C\n0.137497 0.126231 0.161337 C\n0.678180 0.484504 0.413810 C\n0.702241 0.063241 0.555926 C\n0.597044 0.063665 0.693426 C\n0.815428 0.859676 0.488349 C\n0.480961 0.258154 0.763506 C\n0.802894 0.883058 0.992382 C\n0.959882 0.203843 0.281206 C\n0.636358 0.422832 0.792418 O\n0.390624 0.523134 0.070571 O\n0.125562 0.670738 0.741222 O\n0.927430 0.726762 0.003528 O\n0.539161 0.873840 0.950278 O\n0.225952 0.268130 0.799287 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.8563632434009691,
"density_atomic": 0.11575816442072252,
"volume": 328.27058195125807,
"volume_molar": 5.202346452309452,
"formula_full": "Sn1 H20 C11 O6",
"formula_reduced": "SnH20C11O6",
"formula_anonymous": "AB6C11D20",
"energy_above_hull": 4.513295860526315,
"spacegroup": 1
},
{
"id": "jvasp-112058",
"created_at": "2022-09-04T14:38:42.221701Z",
"updated_at": "2022-09-04T14:38:42.221738Z",
"structure_string": "Sn1 H8 C5 O4\n1.0\n4.907649 0.071408 -0.210428\n-0.837061 5.707878 -1.881113\n-0.095160 -0.246941 6.499301\nSn H C O\n1 8 5 4\ndirect\n0.248606 0.922059 0.098316 Sn\n0.028908 0.238346 0.973959 H\n0.386223 0.262237 0.928637 H\n0.550382 0.621085 0.204298 H\n0.142609 0.028902 0.735092 H\n0.213448 0.602724 0.299345 H\n0.553286 0.419762 0.586291 H\n0.693788 0.225064 0.695272 H\n0.471025 0.845741 0.450027 H\n0.391215 0.720927 0.285638 C\n0.197353 0.140649 0.907703 C\n0.947844 0.551429 0.772917 C\n0.840215 0.213000 0.391923 C\n0.745550 0.351918 0.611308 C\n0.681817 0.171803 0.218627 O\n0.197413 0.593626 0.743988 O\n0.850842 0.680360 0.948942 O\n0.072846 0.134900 0.393684 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.313604723850534,
"density_atomic": 0.09998673960601925,
"volume": 180.02387187466996,
"volume_molar": 6.022939425497043,
"formula_full": "Sn1 H8 C5 O4",
"formula_reduced": "SnH8C5O4",
"formula_anonymous": "AB4C5D8",
"energy_above_hull": 4.217264761111111,
"spacegroup": 1
},
{
"id": "jvasp-112023",
"created_at": "2022-09-04T14:38:42.420293Z",
"updated_at": "2022-09-04T14:38:42.420318Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.887379 -0.044503 0.094296\n-1.684175 7.224405 -2.188321\n0.245814 -0.152236 10.493322\nSn H C O\n1 26 14 4\ndirect\n0.442992 0.373752 0.801068 Sn\n0.618276 0.599398 0.384907 H\n0.829424 0.390502 0.614930 H\n0.560349 0.502702 0.591079 H\n0.325898 0.528847 0.054216 H\n0.098690 0.300220 -0.005277 H\n0.471176 0.710942 0.291312 H\n0.497253 0.253613 0.534758 H\n0.483555 0.984267 0.494293 H\n0.822414 0.945977 0.447440 H\n0.808816 0.783809 0.624866 H\n0.482987 0.844285 0.678416 H\n0.183468 0.246219 0.408666 H\n0.461335 0.328177 0.043075 H\n0.813127 0.399297 0.365798 H\n0.766468 0.057292 0.273563 H\n0.451439 0.064241 0.094794 H\n0.445298 0.827456 0.062035 H\n0.338008 0.931502 0.865000 H\n0.902757 0.115166 0.130589 H\n0.012543 0.967310 0.938599 H\n0.204565 0.913530 0.270128 H\n0.365647 0.290005 0.268465 H\n0.065005 0.723742 0.446545 H\n0.196492 0.593602 0.530920 H\n0.008440 0.460668 0.234568 H\n0.932370 0.788603 0.149496 H\n0.174359 0.887122 0.930530 C\n0.028932 0.435990 0.331644 C\n0.309297 0.925227 0.069774 C\n0.097002 0.918575 0.181455 C\n0.963693 0.088256 0.221393 C\n0.187346 0.616909 0.432743 C\n0.154971 0.266053 0.310818 C\n0.038796 0.682886 0.869804 C\n0.622361 0.888699 0.487988 C\n0.483352 0.696995 0.392435 C\n0.845330 0.073089 0.716814 C\n0.602950 0.380311 0.610354 C\n0.314129 0.382609 -0.001234 C\n0.680707 0.885440 0.630636 C\n0.107763 0.116615 0.693905 O\n0.182999 0.576733 0.793015 O\n0.784291 0.628198 0.900004 O\n0.722173 0.177781 0.807483 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.7015840061278342,
"density_atomic": 0.1222930918417814,
"volume": 367.96845449143973,
"volume_molar": 4.9243507293046775,
"formula_full": "Sn1 H26 C14 O4",
"formula_reduced": "SnH26(C7O2)2",
"formula_anonymous": "AB4C14D26",
"energy_above_hull": 4.660713904444444,
"spacegroup": 1
},
{
"id": "jvasp-112077",
"created_at": "2022-09-04T14:38:42.435091Z",
"updated_at": "2022-09-04T14:38:42.435116Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.876555 -0.044580 1.051379\n0.176154 5.295751 0.871082\n0.153592 -0.258331 8.275980\nSn H C O\n1 10 6 6\ndirect\n0.603698 0.697685 0.697275 Sn\n0.880299 0.032965 0.043654 H\n0.007345 0.850924 0.202065 H\n0.607942 0.515328 0.170246 H\n0.268076 0.603824 0.269531 H\n0.199007 0.140305 0.401620 H\n0.503040 0.070118 0.252629 H\n0.970963 0.343850 0.196190 H\n0.774135 0.136153 0.658696 H\n0.634376 0.295430 0.890874 H\n0.262169 0.351684 0.032954 H\n0.065325 0.995820 0.093709 C\n0.439179 0.469242 0.279394 C\n0.330268 0.206033 0.279277 C\n0.277607 0.884845 0.960909 C\n0.522656 0.525503 0.432828 C\n0.156448 0.234250 0.146428 C\n0.332285 0.550725 0.566066 O\n0.756294 0.017889 0.579227 O\n0.765965 0.382548 0.796966 O\n0.535530 0.902777 0.947067 O\n0.198152 0.768625 0.853263 O\n0.768735 0.573386 0.435362 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.3036235019483002,
"density_atomic": 0.10748631794041813,
"volume": 213.98072276277406,
"volume_molar": 5.6027044887128765,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.2239966391304336,
"spacegroup": 1
},
{
"id": "jvasp-112007",
"created_at": "2022-09-04T14:38:41.690930Z",
"updated_at": "2022-09-04T14:38:41.690956Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n5.012808 -0.013217 1.038620\n-0.145451 6.862983 1.796035\n-0.085167 -0.029635 10.414974\nSn H C O\n1 24 13 4\ndirect\n0.941903 0.647401 0.981296 Sn\n0.603781 0.949868 0.340995 H\n0.699395 0.322763 0.147298 H\n0.517490 0.533972 0.179485 H\n0.188669 0.942043 0.780579 H\n0.138699 0.735584 0.716297 H\n0.426241 0.825222 0.501682 H\n0.819757 0.467784 0.243995 H\n0.004313 0.852755 0.407412 H\n0.257907 0.723389 0.326746 H\n0.393063 0.054400 0.149767 H\n0.068283 0.133669 0.210352 H\n0.864497 0.890346 0.750376 H\n0.482495 0.501081 0.453298 H\n0.757104 0.202995 0.438681 H\n0.900559 0.194365 0.698183 H\n0.961885 0.392614 0.760582 H\n0.652781 0.162846 0.929942 H\n0.325557 0.382350 0.618502 H\n0.425668 0.170038 0.821268 H\n0.919773 0.492103 0.519109 H\n0.585885 0.080781 0.600733 H\n0.154197 0.116962 0.519401 H\n0.320081 0.246154 0.357538 H\n0.685506 0.606238 0.621474 H\n0.575835 0.257331 0.844501 C\n0.345678 0.131347 0.447396 C\n0.809382 0.324349 0.725205 C\n0.738929 0.464675 0.599073 C\n0.513610 0.391866 0.544677 C\n0.564719 0.195226 0.509653 C\n0.438112 0.425119 0.893586 C\n0.202821 0.868636 0.341346 C\n0.407985 0.937859 0.409486 C\n0.080464 0.897552 0.115584 C\n0.713505 0.469526 0.161927 C\n0.047284 0.828871 0.781393 C\n0.188966 0.005806 0.201706 C\n0.855329 0.930199 0.081467 O\n0.567249 0.577564 0.885272 O\n0.184272 0.402990 0.942640 O\n0.225511 0.759289 0.079528 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 1.678442773534487,
"density_atomic": 0.11693796472008033,
"volume": 359.16479391904323,
"volume_molar": 5.14985939289731,
"formula_full": "Sn1 H24 C13 O4",
"formula_reduced": "SnH24C13O4",
"formula_anonymous": "AB4C13D24",
"energy_above_hull": 4.639496802380953,
"spacegroup": 1
},
{
"id": "jvasp-103869",
"created_at": "2022-09-04T14:36:40.533341Z",
"updated_at": "2022-09-04T14:36:40.533359Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.772925 -0.033913 0.642250\n1.116640 6.057171 1.354479\n-0.015159 0.180457 6.669512\nSn H C O\n1 10 6 4\ndirect\n0.012994 0.821168 0.692737 Sn\n0.783276 0.729501 0.381560 H\n0.988097 0.482602 0.522290 H\n0.242787 0.912793 0.003897 H\n0.861320 0.957810 0.046725 H\n0.164746 0.684511 0.338777 H\n0.817920 0.223979 0.259009 H\n0.591770 0.437786 0.351586 H\n0.208048 0.418340 0.126430 H\n0.434206 0.204538 0.033845 H\n0.037968 0.159706 0.863192 H\n0.043178 0.983296 0.932705 C\n0.982869 0.659013 0.452776 C\n0.470178 0.125480 0.467381 C\n0.555790 0.516848 0.918060 C\n0.591754 0.290663 0.290256 C\n0.434217 0.351658 0.095180 C\n0.786418 0.577528 0.938752 O\n0.600615 0.056474 0.632186 O\n0.239512 0.064840 0.446727 O\n0.425392 0.585823 0.753234 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.289488728997282,
"density_atomic": 0.10932179706326288,
"volume": 192.09343940666852,
"volume_molar": 5.508636815140423,
"formula_full": "Sn1 H10 C6 O4",
"formula_reduced": "SnH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 4.321676461904762,
"spacegroup": 2
}
]
}