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=4520",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4518",
"results": [
{
"id": "jvasp-101857",
"created_at": "2022-09-04T14:37:14.424975Z",
"updated_at": "2022-09-04T14:37:14.424990Z",
"structure_string": "H2 C2 S2 N2 O4\n1.0\n4.376879 0.009955 0.863280\n0.839695 5.170069 2.117028\n-0.059693 -0.078219 6.764145\nH C S N O\n2 2 2 2 4\ndirect\n0.635828 0.570563 0.259536 H\n0.635830 0.070568 0.759536 H\n0.092114 0.720396 0.266347 C\n0.092116 0.220401 0.766345 C\n0.179800 0.439912 0.234180 S\n0.179801 0.939916 0.734183 S\n0.601466 0.771887 0.184891 N\n0.601469 0.271891 0.684889 N\n0.804914 0.361010 0.779754 O\n0.804910 0.861003 0.279758 O\n0.294525 0.862029 0.276598 O\n0.294528 0.362035 0.776594 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9651310590337645,
"density_atomic": 0.07795196564665477,
"volume": 153.94095454108626,
"volume_molar": 7.725450808126522,
"formula_full": "H2 C2 S2 N2 O4",
"formula_reduced": "HCSNO2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.797373375,
"spacegroup": 1
},
{
"id": "jvasp-101856",
"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.9139630856262788,
"density_atomic": 0.07802395528655667,
"volume": 205.06522568917703,
"volume_molar": 7.718322838008701,
"formula_full": "H4 C4 S4 N4",
"formula_reduced": "HCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.9145508125,
"spacegroup": 4
},
{
"id": "jvasp-101855",
"created_at": "2022-09-04T14:37:13.095276Z",
"updated_at": "2022-09-04T14:37:13.095307Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9120889657253952,
"density_atomic": 0.07818060853299391,
"volume": 179.07253809736844,
"volume_molar": 7.702857361948681,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.297761464285714,
"spacegroup": 1
},
{
"id": "jvasp-101854",
"created_at": "2022-09-04T14:36:40.363133Z",
"updated_at": "2022-09-04T14:36:40.363151Z",
"structure_string": "H2 C6 S4 N2 O2\n1.0\n4.127794 -0.002097 0.356320\n0.113596 4.425245 0.046546\n-0.027881 -0.066929 12.106913\nH C S N O\n2 6 4 2 2\ndirect\n0.921696 0.730591 0.361114 H\n0.421681 0.730600 0.861114 H\n0.857660 0.688396 0.197195 C\n0.357649 0.688405 0.697195 C\n0.389645 0.165489 0.806716 C\n0.889657 0.165480 0.306717 C\n0.734356 0.372850 0.225102 C\n0.234346 0.372859 0.725101 C\n0.464072 0.296460 0.930161 S\n0.964076 0.296451 0.430162 S\n0.916792 0.793562 0.067931 S\n0.416790 0.793569 0.567931 S\n0.895441 0.860450 0.289915 N\n0.395423 0.860459 0.789915 N\n0.482864 0.293576 0.188113 O\n0.982852 0.293583 0.688111 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.9693969545015626,
"density_atomic": 0.07233013977342088,
"volume": 221.20792314408757,
"volume_molar": 8.325907815005982,
"formula_full": "H2 C6 S4 N2 O2",
"formula_reduced": "HC3S2NO",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 4.6695533437500005,
"spacegroup": 1
},
{
"id": "jvasp-101852",
"created_at": "2022-09-04T14:37:11.822240Z",
"updated_at": "2022-09-04T14:37:11.822257Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.524255 -0.027013 0.764320\n0.826411 5.199302 1.236181\n-0.059212 -0.446434 7.149518\nH C S N O\n2 4 2 2 4\ndirect\n0.677218 0.623196 0.097895 H\n0.677916 0.121480 0.598831 H\n0.336135 0.892665 0.220322 C\n0.336319 0.390906 0.720865 C\n0.839559 0.300955 0.791048 C\n0.839595 0.802177 0.290123 C\n0.256033 0.183254 0.262278 S\n0.256284 0.682047 0.761456 S\n0.623108 0.754662 0.193428 N\n0.623408 0.252790 0.694474 N\n0.793053 0.375288 0.945058 O\n0.793392 0.875226 0.444580 O\n0.125882 0.750699 0.191786 O\n0.126149 0.248339 0.693271 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 2.004821295593884,
"density_atomic": 0.08197220511126836,
"volume": 170.78959851081865,
"volume_molar": 7.346564304114545,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.268328607142857,
"spacegroup": 1
},
{
"id": "jvasp-101850",
"created_at": "2022-09-04T14:37:10.851511Z",
"updated_at": "2022-09-04T14:37:10.851539Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.549051 -0.018487 1.033105\n0.695555 5.803559 1.654811\n-0.064320 -0.207336 6.256704\nH C S N O\n2 4 2 2 4\ndirect\n0.658278 0.621099 0.138002 H\n0.658238 0.121047 0.638049 H\n0.114490 0.711133 0.261079 C\n0.114464 0.211073 0.761105 C\n0.809950 0.348851 0.787036 C\n0.809977 0.848917 0.286984 C\n0.181655 0.444270 0.247672 S\n0.181645 0.944232 0.747607 S\n0.607415 0.740730 0.238323 N\n0.607380 0.240661 0.738388 N\n0.756335 0.529540 0.852712 O\n0.756358 0.029609 0.352657 O\n0.318589 0.850708 0.255875 O\n0.318552 0.350631 0.755961 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 2.049564745890217,
"density_atomic": 0.08380165459543817,
"volume": 167.0611405894855,
"volume_molar": 7.186183601114506,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.300678607142857,
"spacegroup": 1
},
{
"id": "jvasp-10185",
"created_at": "2022-09-04T14:37:16.800957Z",
"updated_at": "2022-09-04T14:37:16.800977Z",
"structure_string": "Na1 Tl3 S2 O6\n1.0\n2.960681 -5.128051 -0.000000\n2.960681 5.128051 0.000000\n-0.000000 -0.000000 7.032664\nNa Tl S O\n1 3 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.684375 Tl\n0.333333 0.666667 0.315625 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.789396 S\n0.666667 0.333333 0.210604 S\n0.391207 0.195603 0.298923 O\n0.804396 0.608793 0.298923 O\n0.804396 0.195603 0.298923 O\n0.195603 0.391207 0.701076 O\n0.608793 0.804396 0.701076 O\n0.195603 0.804396 0.701076 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"Tl",
"S",
"O"
],
"chemical_system": "Na-O-S-Tl",
"density": 6.1917511100403635,
"density_atomic": 0.05619367423075251,
"volume": 213.5471681514089,
"volume_molar": 10.71675921255978,
"formula_full": "Na1 Tl3 S2 O6",
"formula_reduced": "NaTl3(SO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.47873815,
"spacegroup": 164
},
{
"id": "jvasp-101849",
"created_at": "2022-09-04T14:37:08.888558Z",
"updated_at": "2022-09-04T14:37:08.888588Z",
"structure_string": "H6 C12 S4 N2 O2\n1.0\n4.590250 0.043249 0.539146\n1.846374 7.021522 2.394235\n0.139998 0.008705 9.760758\nH C S N O\n6 12 4 2 2\ndirect\n0.527480 0.480654 0.280104 H\n0.527481 0.980653 0.780104 H\n0.855521 0.302881 0.097937 H\n0.855522 0.802880 0.597937 H\n0.857082 0.882492 0.082630 H\n0.857084 0.382492 0.582630 H\n0.618740 0.928122 0.303883 C\n0.618741 0.428122 0.803883 C\n0.900128 0.768469 0.297622 C\n0.900129 0.268468 0.797622 C\n0.221066 0.148296 0.604511 C\n0.221064 0.648296 0.104511 C\n0.526703 0.478446 0.933523 C\n0.646460 0.914153 0.571544 C\n0.646459 0.414153 0.071544 C\n0.474518 0.009254 0.668634 C\n0.474516 0.509255 0.168634 C\n0.526703 0.978446 0.433523 C\n0.413686 0.539753 0.656448 S\n0.413686 0.039754 0.156448 S\n0.195409 0.661995 0.925774 S\n0.195409 0.161996 0.425773 S\n0.994979 0.773016 0.157008 N\n0.994980 0.273016 0.657008 N\n0.024258 0.145411 0.904334 O\n0.024256 0.645411 0.404334 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7943292711682641,
"density_atomic": 0.0830107107535677,
"volume": 313.21259345900194,
"volume_molar": 7.254655098518326,
"formula_full": "H6 C12 S4 N2 O2",
"formula_reduced": "H3C6S2NO",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 5.221475903846153,
"spacegroup": 1
},
{
"id": "jvasp-101846",
"created_at": "2022-09-04T14:37:07.749518Z",
"updated_at": "2022-09-04T14:37:07.749553Z",
"structure_string": "H9 C13 S1 N1\n1.0\n4.522146 -0.023532 0.093273\n-2.221877 6.032521 -0.097403\n0.331122 0.072285 8.844218\nH C S N\n9 13 1 1\ndirect\n0.550450 0.124721 0.798437 H\n0.685622 0.298914 0.346343 H\n0.967344 0.124486 0.963029 H\n0.100450 0.692965 0.078294 H\n0.274048 0.868452 0.627559 H\n0.402592 0.692538 0.847290 H\n0.405085 0.868883 0.297861 H\n0.384887 0.124500 0.127306 H\n0.424278 0.299142 0.579238 H\n0.389049 0.288586 0.164943 C\n0.642194 0.387049 0.635343 C\n0.555555 0.386968 0.290243 C\n0.710230 0.288671 0.760739 C\n0.840129 0.600451 0.585984 C\n0.229811 0.398576 0.083872 C\n0.407025 0.707999 0.257439 C\n0.979191 0.398513 0.841827 C\n0.240033 0.611005 0.133354 C\n0.111351 0.707726 0.668050 C\n0.181238 0.610745 0.792233 C\n0.764971 0.719274 0.462720 C\n0.570999 0.600534 0.339514 C\n0.903718 0.996686 0.462628 S\n0.052147 0.293923 0.962907 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.4579639714726946,
"density_atomic": 0.09973461202754716,
"volume": 240.63862597040122,
"volume_molar": 6.038165324528116,
"formula_full": "H9 C13 S1 N1",
"formula_reduced": "H9C13SN",
"formula_anonymous": "ABC9D13",
"energy_above_hull": 5.77556846875,
"spacegroup": 5
},
{
"id": "jvasp-101845",
"created_at": "2022-09-04T14:37:07.221869Z",
"updated_at": "2022-09-04T14:37:07.221897Z",
"structure_string": "H18 C26 N2 O2\n1.0\n3.673133 0.121455 0.000428\n0.871240 8.244315 0.966402\n-0.887696 0.169603 14.632426\nH C N O\n18 26 2 2\ndirect\n0.058972 0.005474 0.930091 H\n0.256489 0.420057 0.359250 H\n0.756489 0.420057 0.859250 H\n0.802770 0.453047 0.222607 H\n0.771983 0.720450 0.495870 H\n0.271985 0.720450 -0.004131 H\n0.010417 0.198168 0.444288 H\n0.510417 0.198169 0.944288 H\n0.049330 0.918873 0.177638 H\n0.302771 0.453046 0.722607 H\n0.026833 0.039400 0.598314 H\n0.526833 0.039400 0.098314 H\n0.258949 0.633434 0.241932 H\n0.758948 0.633434 0.741932 H\n0.307671 0.608910 0.568546 H\n0.807672 0.608911 0.068546 H\n0.558971 0.005474 0.430091 H\n0.549330 0.918873 0.677638 H\n0.170211 0.235156 0.672112 C\n0.217269 0.923522 0.889764 C\n0.717269 0.923523 0.389764 C\n0.737410 0.485690 0.074764 C\n0.237410 0.485689 0.574765 C\n0.239294 0.397736 0.661138 C\n0.838385 0.764037 0.426804 C\n0.739294 0.397737 0.161138 C\n0.653683 0.157566 0.267812 C\n0.153683 0.157565 0.767812 C\n0.670210 0.235156 0.172112 C\n0.338386 0.764037 0.926804 C\n0.035616 0.655297 0.374032 C\n0.101104 0.715023 0.282723 C\n0.155454 0.413664 0.495459 C\n0.655453 0.413664 0.995460 C\n0.783845 0.984650 0.299105 C\n0.283846 0.984650 0.799105 C\n0.095732 0.163011 0.592555 C\n0.595732 0.163012 0.092555 C\n0.601103 0.715023 0.782723 C\n0.085347 0.251246 0.505669 C\n0.585347 0.251247 0.005669 C\n0.980916 0.875774 0.246722 C\n0.480916 0.875774 0.746722 C\n0.535615 0.655297 0.874032 C\n0.655784 0.494288 0.905983 N\n0.155784 0.494288 0.405982 N\n0.528481 0.247373 0.325055 O\n0.028481 0.247373 0.825055 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4706206185264799,
"density_atomic": 0.10887944960089291,
"volume": 440.854543037719,
"volume_molar": 5.531016901788795,
"formula_full": "H18 C26 N2 O2",
"formula_reduced": "H9C13NO",
"formula_anonymous": "ABC9D13",
"energy_above_hull": 5.79822528125,
"spacegroup": 1
},
{
"id": "jvasp-101844",
"created_at": "2022-09-04T14:36:41.933007Z",
"updated_at": "2022-09-04T14:36:41.933024Z",
"structure_string": "H9 C12 N1 O1\n1.0\n3.615410 -0.094677 -0.748843\n-2.079118 5.929925 -0.516636\n-0.174452 0.024886 9.428193\nH C N O\n9 12 1 1\ndirect\n0.639940 0.063541 0.098289 H\n0.524555 0.406627 0.510596 H\n0.130457 0.689784 0.979954 H\n0.146438 0.607999 0.442408 H\n0.898060 0.957812 0.887891 H\n0.676587 0.416541 0.203635 H\n0.457430 0.759340 0.646825 H\n0.100396 0.253323 0.335683 H\n0.959193 0.601944 0.749209 H\n0.847381 0.417244 0.728863 C\n0.014801 0.069833 0.309480 C\n0.596585 0.302942 0.591766 C\n0.752553 0.963417 0.174087 C\n0.954692 0.292109 0.835893 C\n0.165575 0.947651 0.411661 C\n0.037844 0.711234 0.368693 C\n0.626212 0.726360 0.135107 C\n0.813239 0.054659 0.804040 C\n0.562355 0.944376 0.666877 C\n0.772898 0.600195 0.232893 C\n0.442442 0.064687 0.556618 C\n0.365270 0.632874 0.992769 N\n0.189431 0.387018 0.977677 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5243180074089695,
"density_atomic": 0.115243043925106,
"volume": 199.57820634230393,
"volume_molar": 5.225600222702953,
"formula_full": "H9 C12 N1 O1",
"formula_reduced": "H9C12NO",
"formula_anonymous": "ABC9D12",
"energy_above_hull": 5.708026815217391,
"spacegroup": 1
},
{
"id": "jvasp-101842",
"created_at": "2022-09-04T14:37:04.343228Z",
"updated_at": "2022-09-04T14:37:04.343253Z",
"structure_string": "H10 C18 S4 N2 O2\n1.0\n4.679759 -0.132615 -0.475027\n-0.718930 7.747461 -2.245204\n-0.227162 0.235148 10.587951\nH C S N O\n10 18 4 2 2\ndirect\n0.602214 0.834438 0.485368 H\n0.548799 0.915245 0.861605 H\n0.956860 0.068675 0.602727 H\n0.460720 0.066294 0.103178 H\n0.707139 0.579425 0.854382 H\n0.054061 0.912227 0.362020 H\n0.341197 0.330438 0.731447 H\n0.843028 0.329216 0.231664 H\n0.101908 0.834813 0.985552 H\n0.208669 0.578268 0.354404 H\n0.321370 0.062116 0.292751 C\n0.319415 0.444482 0.030840 C\n0.818534 0.444906 0.530729 C\n0.179221 0.314780 0.913768 C\n0.679255 0.314609 0.413823 C\n0.940450 0.812812 0.167156 C\n0.438450 0.813992 0.666838 C\n0.819593 0.063251 0.792480 C\n0.560955 0.573873 0.042134 C\n0.189405 0.265946 0.779037 C\n0.690775 0.265004 0.279220 C\n0.945646 0.772295 0.031681 C\n0.445199 0.772430 0.531461 C\n0.984034 0.123330 0.709215 C\n0.486338 0.121877 0.209522 C\n0.730834 0.634558 0.961184 C\n0.231090 0.634215 0.461072 C\n0.060150 0.574242 0.541962 C\n0.166324 0.687808 0.706385 S\n0.668891 0.686262 0.206710 S\n0.413902 0.182802 0.455052 S\n0.914315 0.182710 0.955025 S\n0.602336 0.930336 0.774168 N\n0.105468 0.928469 0.274538 N\n0.720736 0.443687 0.637257 O\n0.222533 0.442557 0.137456 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.790210341447246,
"density_atomic": 0.09362387704795544,
"volume": 384.51729553520096,
"volume_molar": 6.432270217687499,
"formula_full": "H10 C18 S4 N2 O2",
"formula_reduced": "H5C9S2NO",
"formula_anonymous": "ABC2D5E9",
"energy_above_hull": 5.484352041666666,
"spacegroup": 1
}
]
}