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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=715",
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"results": [
{
"id": "jvasp-112165",
"created_at": "2022-09-04T14:38:45.485798Z",
"updated_at": "2022-09-04T14:38:45.485814Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.377032 -0.012671 0.431153\n0.784915 4.452632 1.545222\n-0.025255 0.106906 6.914479\nCd H C O\n1 2 3 4\ndirect\n0.621017 0.155545 0.439124 Cd\n0.129191 0.284308 -0.003902 H\n0.745071 0.667936 0.951426 H\n0.245357 0.822531 0.181808 C\n0.007443 0.024709 0.823837 C\n0.101925 0.058664 0.003530 C\n0.877870 0.778095 0.816783 O\n0.023217 0.233104 0.645310 O\n0.417459 0.558963 0.169002 O\n0.229157 0.874990 0.357425 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.43848867528467,
"density_atomic": 0.09655596863190737,
"volume": 103.56687568556434,
"volume_molar": 6.2369430345189,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.631189375,
"spacegroup": 1
},
{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.187686177182635,
"density_atomic": 0.10922338138020465,
"volume": 119.02213459906748,
"volume_molar": 5.513600370086543,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.929642596153847,
"spacegroup": 2
},
{
"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-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-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-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-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-112175",
"created_at": "2022-09-04T14:38:44.530145Z",
"updated_at": "2022-09-04T14:38:44.530162Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.710755 -0.114924 -0.273016\n-1.233857 4.399242 -0.117171\n0.204102 -0.099605 10.027644\nCd H C O\n1 8 6 4\ndirect\n0.006226 0.786290 0.787368 Cd\n0.242237 0.576539 0.433686 H\n0.709347 0.619117 0.483665 H\n0.163125 0.040396 0.334154 H\n0.377905 0.492234 0.189339 H\n0.303333 0.953341 0.091092 H\n0.770525 0.996096 0.141019 H\n0.634676 0.080271 0.385407 H\n0.849450 0.532130 0.240592 H\n0.707397 0.257737 0.978752 C\n0.578436 0.128091 0.110856 C\n0.569043 0.362562 0.222430 C\n0.305048 0.314878 0.595975 C\n0.434190 0.444452 0.463882 C\n0.443549 0.209953 0.352313 C\n0.899059 0.537739 0.978002 O\n0.387166 0.498881 0.701687 O\n0.113225 0.034922 0.596739 O\n0.625296 0.073791 0.873025 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.6223480663476058,
"density_atomic": 0.11696232115265943,
"volume": 162.44547656677543,
"volume_molar": 5.148786977423175,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252808092105263,
"spacegroup": 2
},
{
"id": "jvasp-112176",
"created_at": "2022-09-04T14:38:45.984841Z",
"updated_at": "2022-09-04T14:38:45.984873Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.717754 0.118743 0.379725\n1.427753 4.346905 0.533581\n0.311841 0.109895 10.403377\nCd H C O\n1 8 6 4\ndirect\n0.721121 0.228993 0.798208 Cd\n0.565970 0.502592 0.484490 H\n0.185948 0.370072 0.483139 H\n0.212072 0.013952 0.362132 H\n0.625730 0.564079 0.234516 H\n0.256275 0.087910 0.113276 H\n0.876294 0.955329 0.111939 H\n0.816600 0.893913 0.361888 H\n0.230292 0.443993 0.234287 H\n0.362938 0.739864 0.985493 C\n0.189771 0.873083 0.114024 C\n0.311276 0.651272 0.235674 C\n0.079323 0.718098 0.610927 C\n0.252496 0.584876 0.482395 C\n0.131050 0.806691 0.360741 C\n0.542656 0.449808 0.986550 O\n0.899607 0.008154 0.609874 O\n0.122118 0.530874 0.716142 O\n0.320136 0.927085 0.880277 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.5707033954312095,
"density_atomic": 0.11465885859440335,
"volume": 165.7089581469758,
"volume_molar": 5.2522245850212474,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.252859671052631,
"spacegroup": 2
}
]
}