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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=923",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=921",
"results": [
{
"id": "jvasp-103966",
"created_at": "2022-09-04T14:37:17.491533Z",
"updated_at": "2022-09-04T14:37:17.491555Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.686276 0.016206 -0.219024\n-1.301730 5.228877 -1.039271\n-0.046054 0.191491 6.127223\nCd H C O\n1 6 5 4\ndirect\n0.310235 0.736038 0.794859 Cd\n0.566733 -0.002472 0.316638 H\n0.684641 0.244077 0.542972 H\n0.167767 0.162018 0.259339 H\n0.004949 0.236690 0.928495 H\n0.085299 0.451855 0.365273 H\n0.652743 0.102020 0.005468 H\n0.882747 0.930938 0.543139 C\n0.764418 0.111646 0.420107 C\n0.986495 0.255967 0.280971 C\n0.845885 0.262578 0.049466 C\n0.751695 0.502518 0.019270 C\n0.713103 0.730543 0.583289 O\n0.159918 0.992296 0.605079 O\n0.941003 0.711673 0.036493 O\n0.475699 0.475419 0.968584 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6632381619856975,
"density_atomic": 0.10581608866958714,
"volume": 151.20574008325258,
"volume_molar": 5.691139065633258,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.124740234375,
"spacegroup": 1
},
{
"id": "jvasp-103965",
"created_at": "2022-09-04T14:37:02.859090Z",
"updated_at": "2022-09-04T14:37:02.859105Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.787436 0.011864 0.565973\n1.679253 4.749259 0.982085\n-0.001351 -0.186876 7.829217\nCd H C O\n1 6 5 4\ndirect\n0.843454 0.324149 0.222967 Cd\n0.728624 0.528040 0.628666 H\n0.095856 0.557992 0.724015 H\n0.424842 0.052380 0.587966 H\n0.125534 0.085738 0.861514 H\n0.785075 0.092036 0.683164 H\n0.363664 0.716068 0.891490 H\n0.105206 0.691361 0.452141 C\n0.886184 0.669959 0.630016 C\n0.625470 0.951084 0.685524 C\n0.401644 0.921392 0.865100 C\n0.578143 0.959494 0.015202 C\n0.260936 0.459317 0.384491 O\n0.143463 0.921634 0.384292 O\n0.486320 0.215988 0.049565 O\n0.811869 0.757074 0.097927 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.852096703794176,
"density_atomic": 0.11331983823703654,
"volume": 141.19328309075092,
"volume_molar": 5.314286407118936,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122698359375,
"spacegroup": 1
},
{
"id": "jvasp-103963",
"created_at": "2022-09-04T14:37:02.118690Z",
"updated_at": "2022-09-04T14:37:02.118700Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.971338 -0.071611 -0.137775\n-0.925572 4.202753 -0.892935\n0.046874 0.029154 8.326286\nCd H C O\n1 6 5 4\ndirect\n0.576457 0.493157 0.765801 Cd\n0.426432 0.130600 0.426401 H\n0.257002 0.718988 0.338911 H\n0.867769 0.239139 0.319010 H\n0.064805 0.337351 0.073594 H\n0.772447 0.849159 0.193945 H\n0.449973 0.342420 0.182671 H\n0.985979 0.921381 0.537489 C\n0.188470 0.946041 0.386991 C\n0.984282 0.048851 0.255222 C\n0.202442 0.185046 0.126411 C\n0.278322 0.956889 0.978909 C\n0.039751 0.166095 0.656824 O\n0.762766 0.662981 0.536610 O\n0.097107 0.670217 0.936692 O\n0.532635 0.051365 0.895815 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.9063903810661773,
"density_atomic": 0.11547704094253115,
"volume": 138.55568058730077,
"volume_molar": 5.215011322464529,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122225859375,
"spacegroup": 1
},
{
"id": "jvasp-103964",
"created_at": "2022-09-04T14:36:59.664637Z",
"updated_at": "2022-09-04T14:36:59.664672Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.7748604766200855,
"density_atomic": 0.11025107946817589,
"volume": 145.12329563737669,
"volume_molar": 5.4622057117711025,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122690859375,
"spacegroup": 1
},
{
"id": "jvasp-112170",
"created_at": "2022-09-04T14:38:45.004118Z",
"updated_at": "2022-09-04T14:38:45.004146Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.737377 -0.074381 -0.218617\n-0.785671 4.245236 -0.288727\n0.121196 -0.001381 8.778504\nCd H C O\n1 6 5 4\ndirect\n0.110468 0.466000 0.758519 Cd\n0.647119 0.719978 0.432276 H\n0.196448 0.715151 0.370139 H\n0.868064 0.209487 0.296904 H\n0.795293 0.662951 0.159041 H\n0.415293 0.218385 0.234957 H\n0.348451 0.668827 0.101753 H\n0.422157 0.069244 0.546385 C\n0.460476 0.875004 0.400944 C\n0.598314 0.060158 0.265547 C\n0.615260 0.825636 0.129173 C\n0.752803 0.950394 0.981201 C\n0.181180 0.959375 0.638275 O\n0.620149 0.345459 0.575060 O\n0.959189 0.220543 0.981513 O\n0.667860 0.760068 0.859304 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.8995926177352103,
"density_atomic": 0.11520695141856302,
"volume": 138.88050853693503,
"volume_molar": 5.227237320186278,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.121607109375,
"spacegroup": 1
},
{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.835747008789563,
"density_atomic": 0.11267023025190653,
"volume": 142.00734270470045,
"volume_molar": 5.344926292007908,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122605234375,
"spacegroup": 1
},
{
"id": "jvasp-112173",
"created_at": "2022-09-04T14:38:43.454420Z",
"updated_at": "2022-09-04T14:38:43.454446Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.773974 0.128184 0.035178\n1.338979 4.250147 1.292811\n-0.303895 0.222087 9.038035\nCd H C O\n1 6 5 4\ndirect\n0.035000 0.548941 0.213347 Cd\n0.407147 0.389014 0.577814 H\n0.803504 0.484155 0.611424 H\n0.046988 0.878537 0.682446 H\n0.015720 0.538773 0.910105 H\n0.492257 0.810086 0.774382 H\n0.203306 0.249172 0.814603 H\n0.381074 0.847784 0.435894 C\n0.493823 0.584784 0.592670 C\n0.325407 0.693006 0.728336 C\n0.263753 0.423367 0.861333 C\n0.576728 0.239057 0.996417 C\n0.453183 0.768201 0.311725 O\n0.210909 0.134114 0.433432 O\n0.590817 0.360808 0.106891 O\n0.806868 0.970814 -0.003524 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.829113848777552,
"density_atomic": 0.11240668076616803,
"volume": 142.34029410835208,
"volume_molar": 5.357458043376844,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122133984374999,
"spacegroup": 1
},
{
"id": "jvasp-112174",
"created_at": "2022-09-04T14:38:45.726699Z",
"updated_at": "2022-09-04T14:38:45.726717Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.686930 0.008144 -0.492205\n-1.391092 4.939094 -1.370923\n0.162343 0.011080 9.036416\nCd H C O\n1 6 5 4\ndirect\n0.730786 0.141760 0.402726 Cd\n0.282972 0.095006 0.801757 H\n0.295257 0.381934 0.590736 H\n0.301371 0.651437 0.843263 H\n0.796392 0.969917 0.723238 H\n0.820137 0.520814 0.774098 H\n0.963441 0.001179 0.920933 H\n0.234983 0.685206 0.490732 C\n0.153203 0.542298 0.596252 C\n0.071113 0.659321 0.757660 C\n0.752237 0.488928 0.067531 C\n0.025261 0.947594 0.802479 C\n0.336400 0.572564 0.349812 O\n0.237369 0.933608 0.500747 O\n0.754099 0.710079 0.119920 O\n0.251517 0.274138 0.297266 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.4389199424468146,
"density_atomic": 0.09690345105882518,
"volume": 165.11279861732902,
"volume_molar": 6.2145782159443055,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.143127109375,
"spacegroup": 1
},
{
"id": "jvasp-112169",
"created_at": "2022-09-04T14:38:45.602727Z",
"updated_at": "2022-09-04T14:38:45.602747Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.884174 0.065607 0.338779\n1.152716 4.069112 0.427060\n0.115541 0.037834 9.086751\nCd H C O\n1 6 5 4\ndirect\n0.394660 0.388224 0.237859 Cd\n0.836101 0.304978 0.601678 H\n0.521480 0.094167 0.590780 H\n0.232866 0.777363 0.741408 H\n0.827857 0.222514 0.890653 H\n0.885926 0.597082 0.737116 H\n0.458739 0.077201 0.876318 H\n0.003394 0.931494 0.454239 C\n0.810868 0.055144 0.599319 C\n0.939811 0.835470 0.739151 C\n0.752167 -0.003631 0.879715 C\n0.845392 0.781984 0.022735 C\n0.944950 0.133511 0.336071 O\n0.218636 0.643564 0.453578 O\n0.134240 0.543676 0.021144 O\n0.632720 0.846458 0.140006 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.8214655555640236,
"density_atomic": 0.11210279788989898,
"volume": 142.7261433359968,
"volume_molar": 5.371980783133179,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.121493359374999,
"spacegroup": 1
},
{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.745623485919137,
"density_atomic": 0.10908943195027732,
"volume": 146.66865262707353,
"volume_molar": 5.520370444998628,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122069609375,
"spacegroup": 5
},
{
"id": "jvasp-101953",
"created_at": "2022-09-04T14:36:48.809484Z",
"updated_at": "2022-09-04T14:36:48.809505Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.680895 0.011926 0.568592\n0.566254 4.596899 0.294179\n0.002448 0.189200 8.484860\nCd H C O\n1 6 5 4\ndirect\n0.684764 0.664970 0.205333 Cd\n0.173531 0.014901 0.471935 H\n0.540662 0.169811 0.520400 H\n0.309984 0.849813 0.741458 H\n0.445478 0.312671 0.847460 H\n0.854853 0.000652 0.737237 H\n0.982277 0.460050 0.848848 H\n0.050632 0.460922 0.498881 C\n0.244125 0.170576 0.550722 C\n0.136159 0.056566 0.723211 C\n0.165675 0.255197 0.856421 C\n0.064603 0.088537 0.014072 C\n0.156527 0.560128 0.348686 O\n0.785507 0.588499 0.581496 O\n0.800596 0.189736 0.118112 O\n0.218967 0.826042 0.035773 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.8089485988598932,
"density_atomic": 0.11160547270907845,
"volume": 143.36214534664566,
"volume_molar": 5.395918868331745,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.123850234374999,
"spacegroup": 1
},
{
"id": "jvasp-101951",
"created_at": "2022-09-04T14:36:47.404455Z",
"updated_at": "2022-09-04T14:36:47.404464Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.972259 -0.010912 -0.170243\n-1.005609 4.181129 -0.926771\n0.104663 0.111279 8.317823\nCd H C O\n1 6 5 4\ndirect\n0.226051 0.209788 0.759594 Cd\n0.736554 0.366062 0.452042 H\n0.351526 0.360845 0.342574 H\n0.933305 0.464271 0.206350 H\n0.375050 0.573712 0.098970 H\n0.029797 0.853865 0.331759 H\n0.545858 0.984895 0.186844 H\n0.523396 0.746168 0.546607 C\n0.599166 0.518217 0.399085 C\n0.817446 0.654495 0.270311 C\n0.613520 0.757865 0.138545 C\n0.815900 0.782600 0.988013 C\n0.269183 0.651519 0.629661 O\n0.704616 0.032924 0.588854 O\n0.039104 0.041149 0.988964 O\n0.762239 0.537974 0.868653 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.9063042671808916,
"density_atomic": 0.1154736194556168,
"volume": 138.55978599640005,
"volume_molar": 5.215165843411238,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122226484374999,
"spacegroup": 1
}
]
}