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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=137",
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"results": [
{
"id": "jvasp-103899",
"created_at": "2022-09-04T14:36:57.743264Z",
"updated_at": "2022-09-04T14:36:57.743289Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.948689 0.016146 0.309410\n0.754949 6.650198 2.483113\n0.003477 -0.080972 8.847301\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.965412 0.710590 0.907961 Al\n0.300684 0.217264 0.418245 H\n0.465010 0.520317 0.443348 H\n0.552985 0.387679 0.644786 H\n0.030034 0.300492 0.665980 H\n-0.011260 0.524536 0.501607 H\n0.631186 0.821641 0.247080 H\n0.362576 0.973116 0.303230 H\n0.364662 0.081697 0.622045 H\n0.664090 0.816119 0.530679 H\n0.811343 0.247081 0.374180 H\n0.859930 0.095856 0.576091 H\n0.317193 0.122407 0.987747 H\n0.561013 0.291509 0.884269 H\n0.563895 0.281758 0.154533 H\n0.870580 0.146250 0.119212 H\n0.957414 0.886537 0.408513 H\n0.532849 0.146017 0.974927 C\n0.649018 0.142079 0.134574 C\n0.727189 0.127015 0.473203 C\n0.741951 0.936045 0.428357 C\n0.583595 0.959816 0.277870 C\n0.411333 0.397542 0.551286 C\n0.438555 0.199283 0.516233 C\n0.066475 0.553811 0.721795 C\n0.691327 0.984905 0.924725 C\n0.117021 0.441670 0.606367 C\n0.111873 0.550115 0.144742 Cl\n0.205521 0.690310 0.732151 O\n0.948761 -0.012202 0.884981 O\n0.597086 0.822314 0.931425 O\n0.865713 0.517161 0.824244 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Al",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "Al-C-Cl-H-O",
"density": 1.4936024524841756,
"density_atomic": 0.10958011278821612,
"volume": 292.02379141410387,
"volume_molar": 5.495651178639416,
"formula_full": "Al1 H16 C10 Cl1 O4",
"formula_reduced": "AlH16C10ClO4",
"formula_anonymous": "ABC4D10E16",
"energy_above_hull": 4.533750339609375,
"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-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-101979",
"created_at": "2022-09-04T14:36:57.936809Z",
"updated_at": "2022-09-04T14:36:57.936840Z",
"structure_string": "H16 Pb1 C10 O4\n1.0\n3.881337 0.020448 0.202307\n0.700357 4.328850 0.414202\n0.182080 0.020700 15.095580\nH Pb C O\n16 1 10 4\ndirect\n0.932073 0.832692 0.584893 H\n0.576216 0.323011 0.566417 H\n0.269900 0.247726 0.077159 H\n0.843760 0.321668 0.041402 H\n0.057936 0.281183 0.239135 H\n0.631843 0.327444 0.201519 H\n0.824247 0.298931 0.401610 H\n0.402877 0.321499 0.362544 H\n0.627505 0.809212 0.469071 H\n0.168349 0.311974 0.523598 H\n0.165199 0.761951 0.146243 H\n0.731619 0.826135 0.111537 H\n0.899085 0.789839 0.309167 H\n0.472233 0.826381 0.272566 H\n0.338087 0.824786 0.630928 H\n0.207079 0.820851 0.431131 H\n0.676408 0.129178 0.835262 Pb\n0.195263 0.594097 0.970663 C\n0.058702 0.437691 0.056770 C\n0.948765 0.644220 0.132663 C\n0.835617 0.457688 0.217221 C\n0.699308 0.654738 0.294027 C\n0.341708 0.470711 0.539528 C\n0.440694 0.660899 0.454199 C\n0.161735 0.675908 0.610742 C\n0.043843 0.503447 0.695658 C\n0.594232 0.463905 0.378600 C\n0.152474 0.479031 0.896798 O\n0.771248 0.624870 0.739462 O\n0.212405 0.234592 0.721012 O\n0.352090 0.821539 0.972655 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.6717341305999733,
"density_atomic": 0.12241963569967555,
"volume": 253.2273505212053,
"volume_molar": 4.919260481034057,
"formula_full": "H16 Pb1 C10 O4",
"formula_reduced": "H16Pb(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.614577574838711,
"spacegroup": 1
},
{
"id": "jvasp-24251",
"created_at": "2022-09-04T14:37:40.359466Z",
"updated_at": "2022-09-04T14:37:40.359487Z",
"structure_string": "Na9 Zr1 P4 Cl1 O16\n1.0\n5.387292 -0.018987 0.008012\n-0.082145 9.072621 -0.002306\n-0.278110 -3.300230 8.538699\nNa Zr P Cl O\n9 1 4 1 16\ndirect\n0.532674 0.640657 0.407207 Na\n0.439636 0.979606 0.374762 Na\n0.462092 0.560831 0.024876 Na\n0.055175 0.834057 0.573738 Na\n0.455981 0.357797 0.594706 Na\n0.933714 0.183483 0.406919 Na\n0.951164 0.560772 0.817931 Na\n0.041135 0.432749 0.147493 Na\n0.529582 0.099934 0.783575 Na\n0.006749 0.000693 0.997411 Zr\n0.040313 0.207023 0.734472 P\n0.476990 0.767923 0.798879 P\n0.528379 0.246097 0.182669 P\n0.972260 0.785496 0.234254 P\n0.012782 0.504579 0.491170 Cl\n0.532104 0.596821 0.774576 O\n0.335992 0.136049 0.057389 O\n0.171302 0.348288 0.863081 O\n0.212285 0.134049 0.594378 O\n0.788674 0.250875 0.680025 O\n0.472863 0.815100 0.654347 O\n0.869146 0.650679 0.088041 O\n0.790815 0.835567 0.369651 O\n0.676722 0.877067 0.918643 O\n0.213361 0.803290 0.874250 O\n0.025889 0.942577 0.196485 O\n0.513443 0.213320 0.334871 O\n0.797543 0.201679 0.117643 O\n0.985953 0.068791 0.799196 O\n0.225226 0.739183 0.286142 O\n0.483036 0.415958 0.196209 O\n",
"nsites": 31,
"nelements": 5,
"elements": [
"Na",
"Zr",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O-P-Zr",
"density": 2.8389862609875114,
"density_atomic": 0.07428479760338014,
"volume": 417.3128419291732,
"volume_molar": 8.106827984042294,
"formula_full": "Na9 Zr1 P4 Cl1 O16",
"formula_reduced": "Na9ZrP4ClO16",
"formula_anonymous": "ABC4D9E16",
"energy_above_hull": 1.936240244112903,
"spacegroup": 1
},
{
"id": "jvasp-91438",
"created_at": "2022-09-04T14:35:44.196297Z",
"updated_at": "2022-09-04T14:35:44.196319Z",
"structure_string": "Ca2 Th1 Si8 O20\n1.0\n6.864945 0.000000 -3.082117\n-1.383762 6.724036 -3.082117\n0.030018 0.036824 9.253223\nCa Th Si O\n2 1 8 20\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Th\n0.815165 0.895301 0.293792 Si\n0.521372 0.104699 0.706207 Si\n0.184835 0.601508 0.706207 Si\n0.601508 0.521372 0.706207 Si\n0.478628 0.398492 0.293792 Si\n0.895300 0.478628 0.293792 Si\n0.398492 0.815166 0.293792 Si\n0.104700 0.184834 0.706207 Si\n0.127170 0.422760 0.748686 O\n0.422760 0.621517 0.748686 O\n0.872830 0.674074 0.251313 O\n0.954280 0.045719 0.499999 O\n0.023522 0.175775 0.838982 O\n0.545719 0.454280 0.499999 O\n0.336792 0.184540 0.161017 O\n0.045720 0.545720 0.500000 O\n0.184540 0.824225 0.161017 O\n0.378483 0.577240 0.251313 O\n0.621517 0.325926 0.748686 O\n0.325927 0.127169 0.748686 O\n0.976477 0.336793 0.161017 O\n0.577240 0.872831 0.251313 O\n0.815460 0.663208 0.838982 O\n0.824225 0.976479 0.161017 O\n0.454281 0.954281 0.500000 O\n0.663207 0.023522 0.838982 O\n0.175775 0.815461 0.838982 O\n0.674073 0.378483 0.251313 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ca",
"Th",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Th",
"density": 3.3191002324983714,
"density_atomic": 0.07231360673923794,
"volume": 428.68833955116713,
"volume_molar": 8.327811364347754,
"formula_full": "Ca2 Th1 Si8 O20",
"formula_reduced": "Ca2Th(Si2O5)4",
"formula_anonymous": "AB2C8D20",
"energy_above_hull": 3.0472724270967744,
"spacegroup": 97
},
{
"id": "jvasp-98088",
"created_at": "2022-09-04T14:35:41.869616Z",
"updated_at": "2022-09-04T14:35:41.869634Z",
"structure_string": "Sr1 V4 Bi6 O20\n1.0\n7.122315 -0.003460 -0.555906\n-3.166318 6.968572 -2.227568\n-0.060135 -0.017624 9.333971\nSr V Bi O\n1 4 6 20\ndirect\n-0.000000 0.500000 -0.000000 Sr\n0.052104 0.775733 0.755923 V\n0.652648 0.102035 0.738273 V\n0.947896 0.224267 0.244076 V\n0.347352 0.897965 0.261726 V\n0.568881 0.704001 0.917311 Bi\n0.191792 0.214845 0.669419 Bi\n0.808208 0.785156 0.330580 Bi\n0.431119 0.295999 0.082688 Bi\n0.657421 0.370449 0.487837 Bi\n0.342579 0.629552 0.512163 Bi\n0.113143 0.739190 0.279433 O\n0.634324 0.867540 0.686876 O\n0.869645 0.663940 0.849175 O\n0.324011 0.415271 0.899956 O\n0.457173 0.115800 0.626073 O\n0.675988 0.584730 0.100043 O\n0.241638 0.688673 0.757147 O\n0.452524 0.471755 0.636169 O\n0.547476 0.528245 0.363831 O\n0.941977 0.699111 0.563740 O\n0.646687 0.190032 0.926632 O\n0.353313 0.809968 0.073367 O\n0.058023 0.300889 0.436260 O\n0.156027 0.024328 0.833652 O\n0.365675 0.132460 0.313123 O\n0.758362 0.311328 0.242852 O\n0.542827 0.884200 0.373926 O\n0.843973 0.975672 0.166347 O\n0.886857 0.260811 0.720567 O\n0.130355 0.336060 0.150824 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Sr",
"V",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sr-V",
"density": 6.695184255819583,
"density_atomic": 0.06700953297975878,
"volume": 462.6207439673398,
"volume_molar": 8.986991092474971,
"formula_full": "Sr1 V4 Bi6 O20",
"formula_reduced": "SrV4(Bi3O10)2",
"formula_anonymous": "AB4C6D20",
"energy_above_hull": 2.859803513225807,
"spacegroup": 2
},
{
"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-112131",
"created_at": "2022-09-04T14:38:45.238593Z",
"updated_at": "2022-09-04T14:38:45.238616Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n4.059626 0.197397 0.225366\n1.183243 4.322020 0.477735\n0.282658 -0.038433 14.570928\nZn H C O\n1 16 10 4\ndirect\n0.138119 0.875514 0.837508 Zn\n0.068981 0.797760 0.477366 H\n0.831884 0.335146 0.073895 H\n0.437456 0.351930 0.025885 H\n0.558247 0.319518 0.234335 H\n0.150669 0.347434 0.194361 H\n0.318564 0.296864 0.398295 H\n0.902987 0.336785 0.361345 H\n0.128822 0.278178 0.565631 H\n0.716807 0.289334 0.532602 H\n0.519653 0.846443 0.145234 H\n0.130545 0.847389 0.099154 H\n0.296516 0.817339 0.310999 H\n0.886343 0.849310 0.271595 H\n0.835931 0.789196 0.642692 H\n0.431915 0.750991 0.622275 H\n0.652356 0.821394 0.444458 H\n0.658719 0.691114 0.964150 C\n0.584242 0.495597 0.049379 C\n0.377561 0.692024 0.126059 C\n0.310090 0.488999 0.212052 C\n0.134549 0.678193 0.293078 C\n0.871062 0.438405 0.548048 C\n0.907880 0.654410 0.461988 C\n0.705198 0.615510 0.632028 C\n0.728777 0.411787 0.722910 C\n0.070008 0.472013 0.378673 C\n0.959142 0.596554 0.925271 O\n0.513137 0.495979 0.788934 O\n0.986223 0.155228 0.728629 O\n0.424977 0.939443 0.933727 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7499324360913762,
"density_atomic": 0.12298137931096975,
"volume": 252.07068072975213,
"volume_molar": 4.896790712334152,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538685625806452,
"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-112130",
"created_at": "2022-09-04T14:38:42.961110Z",
"updated_at": "2022-09-04T14:38:42.961131Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.830465 0.155151 0.596362\n1.672586 4.403245 0.175033\n0.700668 -0.136503 14.872215\nZn H C O\n1 16 10 4\ndirect\n0.618993 0.100428 0.169278 Zn\n0.212743 0.865333 0.529066 H\n0.643550 0.355863 0.950651 H\n0.126590 0.219935 0.956499 H\n0.925404 0.347329 0.768510 H\n0.383662 0.259047 0.791483 H\n0.235160 0.359397 0.593978 H\n0.676197 0.290728 0.624710 H\n0.562470 0.392254 0.422320 H\n0.990616 0.338972 0.457714 H\n0.666291 0.827950 0.871826 H\n0.126789 0.742575 0.891626 H\n0.923031 0.839256 0.697429 H\n0.365571 0.771416 0.726648 H\n0.509167 0.913532 0.363248 H\n0.915179 0.878338 0.403711 H\n0.642604 0.808163 0.563395 H\n0.771125 0.587322 0.051035 C\n0.871242 0.434053 0.956550 C\n0.937549 0.634890 0.876907 C\n0.113984 0.453167 0.785087 C\n0.194961 0.653674 0.706724 C\n0.714518 0.515596 0.447850 C\n0.486189 0.684530 0.539605 C\n0.781298 0.741570 0.376693 C\n0.036862 0.607298 0.284869 C\n0.404156 0.475927 0.615273 C\n0.816375 0.420359 0.120587 O\n0.051882 0.788547 0.219632 O\n0.241026 0.316765 0.278552 O\n0.656115 0.882141 0.055945 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7995763163765466,
"density_atomic": 0.12647024136409882,
"volume": 245.11695135263645,
"volume_molar": 4.761705753895642,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.538493045161291,
"spacegroup": 1
},
{
"id": "jvasp-112132",
"created_at": "2022-09-04T14:38:43.296868Z",
"updated_at": "2022-09-04T14:38:43.296897Z",
"structure_string": "Zn1 H16 C10 O4\n1.0\n3.881028 -0.084298 -0.019486\n2.105076 4.163457 1.063290\n-0.724149 0.042506 15.012832\nZn H C O\n1 16 10 4\ndirect\n0.018128 0.130206 0.842259 Zn\n0.093231 0.664363 0.464362 H\n0.951663 0.673405 0.077819 H\n0.323290 0.746320 0.035593 H\n0.292243 0.441022 0.237169 H\n0.665706 0.531630 0.201719 H\n0.606376 0.239882 0.400399 H\n0.981756 0.335837 0.369767 H\n0.876029 0.047378 0.565289 H\n0.252936 0.149762 0.543678 H\n0.407415 0.080345 0.130443 H\n0.783221 0.167881 0.093929 H\n0.769177 0.863598 0.297345 H\n0.142495 0.961636 0.265331 H\n0.391589 0.460407 0.629260 H\n0.740618 0.600603 0.622164 H\n0.464881 0.773163 0.439563 H\n0.094994 0.521065 0.957988 C\n0.219817 0.562675 0.049712 C\n0.509405 0.265619 0.120366 C\n0.570738 0.341363 0.212460 C\n0.858629 0.057018 0.287609 C\n0.171210 0.953186 0.549440 C\n0.172285 0.863326 0.457342 C\n0.435618 0.673530 0.628892 C\n0.383482 0.732996 0.723840 C\n0.893005 0.142028 0.379431 C\n-0.101825 0.767086 0.893170 O\n0.505188 0.497588 0.793639 O\n0.204129 0.022214 0.728815 O\n0.179474 0.237724 0.951443 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7998635565212349,
"density_atomic": 0.1264904279658548,
"volume": 245.07783314930543,
"volume_molar": 4.760945833486811,
"formula_full": "Zn1 H16 C10 O4",
"formula_reduced": "ZnH16(C5O2)2",
"formula_anonymous": "AB4C10D16",
"energy_above_hull": 4.5384924,
"spacegroup": 1
}
]
}