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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=926",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=924",
"results": [
{
"id": "jvasp-112116",
"created_at": "2022-09-04T14:38:43.064504Z",
"updated_at": "2022-09-04T14:38:43.064525Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1339501387616844,
"density_atomic": 0.1204980560043527,
"volume": 232.36889397608678,
"volume_molar": 4.997707813462538,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479605848214286,
"spacegroup": 1
},
{
"id": "jvasp-112182",
"created_at": "2022-09-04T14:38:41.953865Z",
"updated_at": "2022-09-04T14:38:41.953887Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.222229581137572,
"density_atomic": 0.1254829434195833,
"volume": 223.13789617107614,
"volume_molar": 4.799170784401734,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479579419642857,
"spacegroup": 1
},
{
"id": "jvasp-112183",
"created_at": "2022-09-04T14:38:46.122268Z",
"updated_at": "2022-09-04T14:38:46.122282Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.988001 0.054911 0.806480\n0.787536 4.336349 0.360532\n0.232934 0.308282 13.881708\nCd H C O\n1 14 9 4\ndirect\n0.187647 0.340570 0.171143 Cd\n0.663120 0.533267 0.612429 H\n0.116769 0.027602 0.883399 H\n0.736907 0.079721 0.837001 H\n0.480561 0.028462 0.702990 H\n0.091152 0.100157 0.661032 H\n0.272584 0.613635 0.571144 H\n0.846464 0.996069 0.517909 H\n-0.003237 0.514811 0.969414 H\n0.629461 0.558758 0.920609 H\n0.340662 0.534200 0.793340 H\n0.960059 0.591395 0.747561 H\n0.892292 0.509522 0.425021 H\n0.505276 0.696712 0.385126 H\n0.436356 0.128693 0.488548 H\n0.576506 0.853609 0.034451 C\n0.794364 0.692192 0.944946 C\n0.944322 0.902140 0.859169 C\n0.136775 0.715811 0.770545 C\n0.622650 0.919233 0.502618 C\n0.464309 0.724822 0.592058 C\n0.728780 0.733356 0.411250 C\n0.799365 0.134475 0.279016 C\n0.293205 0.912646 0.681881 C\n0.441932 0.137831 0.023147 O\n0.487880 0.233231 0.303142 O\n0.948459 0.881432 0.328703 O\n0.534173 0.699924 0.119084 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.079932831161927,
"density_atomic": 0.11744785326618705,
"volume": 238.4036763663958,
"volume_molar": 5.127501774214004,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.481489419642857,
"spacegroup": 1
},
{
"id": "jvasp-112196",
"created_at": "2022-09-04T14:38:45.813416Z",
"updated_at": "2022-09-04T14:38:45.813427Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.228912416338788,
"density_atomic": 0.12586030399409573,
"volume": 222.46887311914895,
"volume_molar": 4.784781673721769,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.4795340625,
"spacegroup": 1
},
{
"id": "jvasp-112117",
"created_at": "2022-09-04T14:38:44.510978Z",
"updated_at": "2022-09-04T14:38:44.511007Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855210 0.019031 -0.226362\n-0.552241 4.323129 -0.567902\n-0.249571 -0.028419 15.038359\nCd H C O\n1 16 10 4\ndirect\n0.480044 0.038907 0.147716 Cd\n0.503252 0.858316 0.526525 H\n0.212635 0.628690 0.921456 H\n0.808239 0.644161 0.966089 H\n0.927217 0.507223 0.764118 H\n0.509178 0.521008 0.801937 H\n0.644270 0.403810 0.603314 H\n0.221115 0.394294 0.639392 H\n0.366399 0.299622 0.440943 H\n0.936288 0.257422 0.474067 H\n0.011621 0.064715 0.853622 H\n0.602615 0.098548 0.895510 H\n0.752596 0.961134 0.690271 H\n0.334178 0.966173 0.728863 H\n0.276409 0.750405 0.362743 H\n0.852109 0.702520 0.396838 H\n0.081137 0.839022 0.563474 H\n0.135851 0.367486 0.029257 C\n-0.003941 0.485374 0.945341 C\n0.825867 0.231204 0.870600 C\n0.704784 0.362925 0.785774 C\n0.553454 0.114783 0.707359 C\n0.160637 0.131523 0.459587 C\n0.292740 -0.000190 0.543413 C\n0.056044 0.876938 0.379691 C\n0.902155 0.981163 0.295090 C\n0.427819 0.247932 0.623194 C\n0.403443 0.515523 0.078188 O\n0.968532 0.844893 0.217868 O\n0.688722 0.181581 0.299385 O\n-0.002036 0.108580 0.048823 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.072570552646454,
"density_atomic": 0.12375812199795191,
"volume": 250.488610359755,
"volume_molar": 4.866057001171739,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525729798387096,
"spacegroup": 1
},
{
"id": "jvasp-112197",
"created_at": "2022-09-04T14:38:45.512459Z",
"updated_at": "2022-09-04T14:38:45.512494Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.855065 0.026831 -0.233346\n-0.563846 4.323288 -0.553964\n-0.226463 -0.071559 15.040204\nCd H C O\n1 16 10 4\ndirect\n0.506414 0.008784 0.145015 Cd\n0.529357 0.827894 0.523873 H\n0.238590 0.598481 0.918747 H\n0.834315 0.613846 0.963384 H\n0.952834 0.477051 0.761463 H\n0.534771 0.490374 0.799233 H\n0.670124 0.373500 0.600664 H\n0.246901 0.363571 0.636656 H\n0.392787 0.269140 0.438254 H\n0.962600 0.226816 0.471296 H\n0.037346 0.034409 0.850946 H\n0.628435 0.068123 0.892833 H\n0.778521 0.930849 0.687613 H\n0.360031 0.935448 0.726128 H\n0.302625 0.719889 0.360049 H\n0.878281 0.671870 0.394082 H\n0.107121 0.808314 0.560706 H\n0.161929 0.337283 0.026563 C\n0.022039 0.455096 0.942643 C\n0.851676 0.200854 0.867919 C\n0.730483 0.332512 0.783094 C\n0.579290 0.084290 0.704670 C\n0.186911 0.100964 0.456862 C\n0.318797 0.969253 0.540703 C\n0.082299 0.846372 0.376965 C\n0.928528 0.950640 0.292356 C\n0.453692 0.217403 0.620498 C\n0.429664 0.485401 0.075468 O\n0.994895 0.814521 0.215148 O\n0.715177 0.151035 0.296648 O\n0.023975 0.078375 0.046166 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0724050572731985,
"density_atomic": 0.12374823987520955,
"volume": 250.50861354683576,
"volume_molar": 4.8664455882951225,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525728508064516,
"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-103983",
"created_at": "2022-09-04T14:36:45.765588Z",
"updated_at": "2022-09-04T14:36:45.765609Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.931350 -0.018885 -0.008412\n-1.072519 4.152205 -0.493188\n0.194821 -0.041143 15.450874\nCd H C O\n1 16 10 4\ndirect\n0.073414 0.167784 0.153281 Cd\n0.257664 0.636482 0.528506 H\n0.158519 0.299796 0.957568 H\n0.621933 0.386999 0.949476 H\n0.152004 0.216138 0.783210 H\n0.614537 0.321891 0.789028 H\n0.202321 0.157385 0.611132 H\n0.661193 0.261719 0.627957 H\n0.309869 0.118726 0.441788 H\n0.765893 0.223398 0.465451 H\n0.146786 0.749837 0.869267 H\n0.610434 0.864275 0.869794 H\n0.166045 0.679123 0.697240 H\n0.627239 0.799814 0.708369 H\n0.383700 0.609801 0.362825 H\n0.831490 0.727259 0.391285 H\n0.714295 0.749015 0.548870 H\n0.449216 0.735634 0.033700 C\n0.395966 0.494595 0.952141 C\n0.381979 0.654737 0.869077 C\n0.384871 0.423634 0.786036 C\n0.400625 0.586052 0.702835 C\n0.541236 0.324710 0.455439 C\n0.485439 0.537835 0.538152 C\n0.607032 0.514224 0.376909 C\n0.707989 0.338010 0.294215 C\n0.435501 0.364805 0.619903 C\n0.234722 0.684618 0.097356 O\n0.619698 0.404772 0.219250 O\n0.907253 0.150269 0.298043 O\n0.703421 0.985768 0.035059 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0615140255971283,
"density_atomic": 0.12309791044486539,
"volume": 251.83205700217522,
"volume_molar": 4.892155145636912,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.525769798387096,
"spacegroup": 1
},
{
"id": "jvasp-103982",
"created_at": "2022-09-04T14:36:44.183138Z",
"updated_at": "2022-09-04T14:36:44.183174Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.667005 0.045830 -0.242187\n-0.075379 4.249877 -0.100993\n-0.176729 -0.080424 15.235051\nCd H C O\n1 16 10 4\ndirect\n0.543400 0.668621 0.165894 Cd\n0.618081 0.908552 0.525852 H\n0.252097 0.409141 0.947053 H\n0.815881 0.567521 0.940698 H\n0.000960 0.440992 0.766327 H\n0.549653 0.483887 0.794159 H\n0.729204 0.430569 0.603047 H\n0.281036 0.434777 0.634970 H\n0.452250 0.401300 0.440156 H\n0.001034 0.362961 0.470216 H\n0.052328 0.946851 0.856619 H\n0.597640 0.996197 0.881864 H\n0.843304 0.928742 0.687645 H\n0.397852 0.948959 0.721032 H\n0.417728 0.862477 0.368206 H\n0.977998 0.812224 0.399779 H\n0.173848 0.897204 0.559771 H\n0.883489 0.233753 0.036215 C\n0.963170 0.342490 0.945500 C\n0.843189 0.125853 0.866760 C\n0.759081 0.306435 0.782091 C\n0.626782 0.095464 0.702913 C\n0.248465 0.229790 0.457957 C\n0.387237 0.059810 0.541236 C\n0.170901 0.994075 0.381414 C\n0.001122 0.107447 0.294204 C\n0.505948 0.276210 0.620290 C\n0.014611 0.414568 0.101934 O\n0.063195 0.928870 0.225778 O\n0.784243 0.336262 0.290557 O\n0.667995 0.007393 0.044516 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.1880525838315386,
"density_atomic": 0.13065382901536843,
"volume": 237.26820892752832,
"volume_molar": 4.609234038821498,
"formula_full": "Cd1 H16 C10 O4",
"formula_reduced": "CdH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.526114637096774,
"spacegroup": 1
},
{
"id": "jvasp-112118",
"created_at": "2022-09-04T14:38:42.728773Z",
"updated_at": "2022-09-04T14:38:42.728807Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.983606 0.101715 0.447062\n1.088914 4.288569 0.573912\n0.230135 -0.074990 15.660498\nCd H C O\n1 18 11 4\ndirect\n0.042472 0.940553 0.144939 Cd\n0.907798 0.670362 0.485841 H\n0.183625 0.216676 0.397842 H\n0.933116 0.283720 0.883779 H\n0.213563 0.363004 0.741124 H\n0.100165 0.728307 0.679572 H\n0.950822 0.109023 0.548441 H\n0.322429 0.107114 0.597956 H\n0.313136 0.637461 0.523623 H\n0.536042 0.290224 0.845530 H\n0.211054 0.719369 0.937506 H\n0.608494 0.760359 0.964456 H\n0.495693 0.831607 0.770662 H\n0.866518 0.839814 0.818958 H\n0.720862 0.217998 0.688502 H\n0.609144 0.583328 0.626998 H\n0.166225 0.771427 0.333984 H\n0.570148 0.732199 0.370562 H\n0.591848 0.178717 0.435702 H\n0.484078 0.356692 0.027112 C\n0.482052 0.588843 0.947400 C\n0.680177 0.440009 0.866365 C\n0.745989 0.682704 0.792558 C\n0.991556 0.543783 0.715423 C\n0.343349 0.349017 0.420623 C\n0.075397 0.261423 0.575624 C\n0.155660 0.500059 0.502286 C\n0.410964 0.596051 0.348803 C\n0.605106 0.481121 0.264563 C\n0.830630 0.401799 0.652638 C\n0.236181 0.416809 0.088013 O\n0.575002 0.683436 0.196911 O\n0.800367 0.203442 0.264465 O\n0.736866 0.107466 0.030218 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0429912142632394,
"density_atomic": 0.12805251217473165,
"volume": 265.51607166914414,
"volume_molar": 4.7028681106877475,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563966580882353,
"spacegroup": 1
},
{
"id": "jvasp-103984",
"created_at": "2022-09-04T14:36:41.716880Z",
"updated_at": "2022-09-04T14:36:41.716894Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.877107 -0.088910 -0.149382\n-1.049207 4.187528 -0.041365\n-0.426182 -0.059397 16.452567\nCd H C O\n1 18 11 4\ndirect\n0.636814 0.218872 0.142900 Cd\n0.562534 0.404951 0.486317 H\n0.575524 0.897323 0.407834 H\n0.628532 0.933132 0.888352 H\n0.897432 0.985896 0.712872 H\n0.446561 0.904985 0.735984 H\n0.714413 0.947433 0.560448 H\n0.263223 0.875458 0.582795 H\n0.109217 0.354514 0.504198 H\n0.083057 0.019633 0.867190 H\n0.150987 0.535259 0.941830 H\n0.689007 0.425607 0.959357 H\n0.956711 0.494469 0.787793 H\n0.504211 0.408174 0.809798 H\n0.760456 0.454823 0.635881 H\n0.309086 0.378029 0.658280 H\n0.306661 0.292611 0.346747 H\n0.906234 0.399980 0.336258 H\n0.126094 0.866606 0.426258 H\n0.005641 0.837161 0.028052 C\n0.919687 0.630389 0.950992 C\n0.844808 0.821113 0.876396 C\n0.740724 0.607862 0.799367 C\n0.659598 0.788603 0.723986 C\n0.318109 0.723879 0.417708 C\n0.472778 0.754052 0.571484 C\n0.361144 0.538394 0.495002 C\n0.198056 0.503614 0.342190 C\n0.314264 0.646533 0.261142 C\n0.548821 0.573593 0.647347 C\n0.267726 0.088497 0.028788 O\n0.211809 0.461165 0.196994 O\n0.520013 0.926973 0.259183 O\n0.809799 0.761184 0.088694 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.044703051956257,
"density_atomic": 0.12815980833709198,
"volume": 265.2937800169894,
"volume_molar": 4.698930841219957,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563718933823529,
"spacegroup": 1
},
{
"id": "jvasp-112198",
"created_at": "2022-09-04T14:38:45.860663Z",
"updated_at": "2022-09-04T14:38:45.860694Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.000849 0.118352 0.445355\n0.911535 4.274517 -0.023115\n0.243435 0.034808 15.564686\nCd H C O\n1 18 11 4\ndirect\n0.967331 0.794038 0.839226 Cd\n0.637453 0.732389 0.532572 H\n0.124215 0.314552 0.565842 H\n0.049879 0.147475 0.103140 H\n0.160723 0.128744 0.300470 H\n0.757455 0.180142 0.262611 H\n0.844988 0.192474 0.460276 H\n0.449897 0.240501 0.418685 H\n0.255250 0.787832 0.485001 H\n0.460328 0.098550 0.137621 H\n0.524022 0.604388 0.067423 H\n0.111898 0.663618 0.035743 H\n0.255240 0.612888 0.222672 H\n0.849705 0.667831 0.186446 H\n0.961276 0.659658 0.377616 H\n0.561758 0.713998 0.338217 H\n0.712022 0.083187 0.614683 H\n0.664635 0.436709 0.675015 H\n0.093255 0.656221 0.629214 H\n0.499255 0.311384 0.963019 C\n0.335274 0.478739 0.048634 C\n0.233003 0.276690 0.122972 C\n0.069279 0.484577 0.203592 C\n0.943034 0.309188 0.281383 C\n0.276909 0.466094 0.589776 C\n0.633658 0.370860 0.437846 C\n0.453173 0.607021 0.511576 C\n0.522163 0.280569 0.649192 C\n0.345354 0.153301 0.727706 C\n0.774677 0.531769 0.358807 C\n0.710534 0.040960 0.964428 O\n0.054110 0.306106 0.765368 O\n0.485669 0.881421 0.755013 O\n0.436755 0.451508 0.893120 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0542826184098466,
"density_atomic": 0.12876024535383623,
"volume": 264.05665744552743,
"volume_molar": 4.677018705153142,
"formula_full": "Cd1 H18 C11 O4",
"formula_reduced": "CdH18C11O4",
"formula_anonymous": "AB4C11D18",
"energy_above_hull": 4.563826580882353,
"spacegroup": 1
}
]
}