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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=930",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=928",
"results": [
{
"id": "jvasp-112167",
"created_at": "2022-09-04T14:38:44.972930Z",
"updated_at": "2022-09-04T14:38:44.972946Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.790880 0.006821 0.048840\n0.377659 4.247213 0.730990\n0.106246 0.423089 7.854640\nCd H C O\n1 4 4 4\ndirect\n0.385836 0.655452 0.249412 Cd\n0.659404 0.074571 0.670334 H\n0.099819 -0.000305 0.741005 H\n0.585448 0.547308 0.816076 H\n0.031383 0.472970 0.881737 H\n0.013790 0.404695 0.538432 C\n0.885401 0.190549 0.702988 C\n0.800884 0.359314 0.852371 C\n0.700127 0.132463 0.018013 C\n0.919456 0.359925 0.389733 O\n0.231593 0.607489 0.546271 O\n0.849930 0.848513 0.055602 O\n0.449635 0.214440 0.116310 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.0289742642740753,
"density_atomic": 0.10378525139197771,
"volume": 125.25864538210158,
"volume_molar": 5.802501491522612,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.930243365384616,
"spacegroup": 1
},
{
"id": "jvasp-112168",
"created_at": "2022-09-04T14:38:43.429035Z",
"updated_at": "2022-09-04T14:38:43.429067Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.676745 -0.134560 0.013331\n-0.826828 4.368357 -1.484192\n0.474636 -0.098655 7.573698\nCd H C O\n1 4 4 4\ndirect\n0.250570 0.744028 0.726473 Cd\n0.996450 0.033788 0.252633 H\n0.541338 0.904068 0.165660 H\n-0.040358 0.583985 0.287270 H\n0.504551 0.454255 0.200268 H\n0.588301 0.160611 0.458452 C\n0.728243 0.104294 0.258910 C\n0.772761 0.383756 0.194004 C\n0.912758 0.327486 0.994475 C\n0.372830 0.934758 0.490514 O\n0.685645 0.430661 0.583111 O\n0.815493 0.057462 0.869783 O\n0.128205 0.553392 0.962456 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.153014546810126,
"density_atomic": 0.10803538717476595,
"volume": 120.33094285088504,
"volume_molar": 5.574229812550349,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929785673076924,
"spacegroup": 2
},
{
"id": "jvasp-98439",
"created_at": "2022-09-04T14:35:47.797256Z",
"updated_at": "2022-09-04T14:35:47.797288Z",
"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Cd",
"H",
"S",
"O"
],
"chemical_system": "Cd-H-O-S",
"density": 3.108038398434086,
"density_atomic": 0.08619746848286572,
"volume": 556.8609014259092,
"volume_molar": 6.986447358598563,
"formula_full": "Cd4 H16 S8 O20",
"formula_reduced": "CdH4S2O5",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 2.377052270833333,
"spacegroup": 14
},
{
"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-101952",
"created_at": "2022-09-04T14:36:47.479361Z",
"updated_at": "2022-09-04T14:36:47.479370Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.063340 -0.115967 -0.278640\n-0.996942 4.200739 -0.387402\n-0.030213 -0.013224 8.234216\nCd H C O\n1 6 5 4\ndirect\n0.791678 0.342719 0.244145 Cd\n0.451789 0.748284 0.552066 H\n0.499068 0.118989 0.670422 H\n0.864760 0.549783 0.630671 H\n-0.000784 0.381169 0.879584 H\n0.909473 0.902369 0.763250 H\n0.403910 0.482686 0.807545 H\n0.153567 0.024710 0.453976 C\n0.311302 0.914167 0.601911 C\n0.051815 0.740718 0.710319 C\n0.197546 0.582941 0.848475 C\n0.341368 0.792585 0.007947 C\n0.864349 0.863757 0.382844 O\n0.305685 0.288653 0.401567 O\n0.557073 0.064413 0.002620 O\n0.256676 0.687686 0.142164 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.885952772424385,
"density_atomic": 0.11466501149691004,
"volume": 139.53689788302304,
"volume_molar": 5.251942751658192,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122310234375,
"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-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-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-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-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
}
]
}