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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=718",
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{
"id": "jvasp-112200",
"created_at": "2022-09-04T14:38:45.567078Z",
"updated_at": "2022-09-04T14:38:45.567095Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.906190 0.102083 0.746012\n1.164504 4.371069 0.513901\n-0.033334 0.177806 16.905738\nCd H C O\n1 20 12 4\ndirect\n-0.023065 0.154599 0.861819 Cd\n0.732003 0.058567 0.507194 H\n0.898037 0.548606 0.589001 H\n0.728812 0.295392 0.025728 H\n0.538043 0.295330 0.208011 H\n0.713049 0.966716 0.151837 H\n0.706591 0.628093 0.288248 H\n0.287335 0.588314 0.335203 H\n0.808087 0.578971 0.439111 H\n0.358385 0.593777 0.474688 H\n0.513514 0.656996 0.068021 H\n0.441905 0.580210 0.622039 H\n0.005618 0.457581 0.135153 H\n0.180738 0.120471 0.081953 H\n0.998830 0.109927 0.265746 H\n0.175112 0.789720 0.207445 H\n0.605190 0.097029 0.361880 H\n0.158717 0.100260 0.396848 H\n0.824900 0.044138 0.651729 H\n0.371722 0.084054 0.682973 H\n0.277462 0.087490 0.539831 H\n0.283468 0.569553 0.971576 C\n0.470208 0.459138 0.044620 C\n0.255492 0.291704 0.110321 C\n0.462932 0.127269 0.178498 C\n0.250706 0.948319 0.240310 C\n0.430841 0.760796 0.310550 C\n0.633923 0.716014 0.602183 C\n0.540559 0.739419 0.455258 C\n0.541972 0.919782 0.525746 C\n0.629992 0.909642 0.670225 C\n0.719882 0.734959 0.749407 C\n0.429809 0.945884 0.380481 C\n0.359345 0.388324 0.914045 O\n0.610155 0.880699 0.813973 O\n0.910942 0.455278 0.747860 O\n0.053335 0.832236 0.971818 O\n",
"nsites": 37,
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"elements": [
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],
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"volume": 286.5471924043806,
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"formula_full": "Cd1 H20 C12 O4",
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"formula_anonymous": "AB4C12D20",
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},
{
"id": "jvasp-112201",
"created_at": "2022-09-04T14:38:44.282705Z",
"updated_at": "2022-09-04T14:38:44.282734Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.338854 -0.002942 -0.632987\n-2.355741 6.310846 -1.074606\n0.132284 -0.187311 9.681492\nSn H C Cl\n2 8 4 4\ndirect\n0.770770 0.782992 0.724510 Sn\n0.134542 0.242958 0.242924 Sn\n0.564461 0.318500 0.487649 H\n0.260092 0.968791 0.047585 H\n0.645174 0.057106 0.919875 H\n0.340813 0.707454 0.479800 H\n0.723417 0.692655 0.443962 H\n0.266433 0.199151 0.979536 H\n0.638861 0.826733 -0.012100 H\n0.181847 0.333300 0.523470 H\n0.382827 0.394581 0.468665 C\n0.522450 0.631371 0.498774 C\n0.123730 0.072054 0.025070 C\n0.781549 0.953845 0.942375 C\n0.864348 0.494756 0.186818 Cl\n0.644788 0.986684 0.293238 Cl\n0.260524 0.039276 0.674212 Cl\n0.040934 0.531180 0.780608 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.734037303437698,
"density_atomic": 0.06807708423680353,
"volume": 264.40615372696766,
"volume_molar": 8.846061530855543,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.984673315,
"spacegroup": 2
},
{
"id": "jvasp-112202",
"created_at": "2022-09-04T14:38:45.572543Z",
"updated_at": "2022-09-04T14:38:45.572572Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.493628 0.122147 1.562128\n0.488003 5.774428 2.247119\n0.124896 -0.029411 6.539599\nSn H C F\n2 8 4 4\ndirect\n0.698331 0.496390 0.463159 Sn\n0.936795 -0.002703 0.937927 Sn\n0.012761 0.652294 0.766593 H\n0.622271 0.841327 0.634590 H\n0.503083 0.586728 0.862281 H\n0.131952 0.906874 0.538872 H\n0.539630 0.145695 0.400048 H\n0.115722 0.091047 0.230283 H\n0.095442 0.347949 0.001121 H\n0.519322 0.402586 0.170879 H\n0.479502 0.701507 0.695933 C\n0.155551 0.792107 0.705219 C\n0.666435 0.286556 0.271003 C\n0.968627 0.207084 0.130150 C\n0.561993 0.831883 0.185789 F\n0.573615 0.153028 0.793872 F\n0.073200 0.661695 0.215397 F\n0.061457 0.340518 0.607307 F\n",
"nsites": 18,
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"elements": [
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"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.6419284719599356,
"density_atomic": 0.10683583515317405,
"volume": 168.48279394449258,
"volume_molar": 5.636817226510056,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.8704658072222218,
"spacegroup": 2
},
{
"id": "jvasp-112203",
"created_at": "2022-09-04T14:38:46.248353Z",
"updated_at": "2022-09-04T14:38:46.248374Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.887620 0.058396 -0.364266\n-2.156957 5.543989 -1.900549\n0.177452 0.031094 6.216351\nSn H C F\n2 8 4 4\ndirect\n0.322813 0.526485 0.563939 Sn\n0.184552 0.995326 0.052736 Sn\n0.527788 0.700501 0.240342 H\n0.979558 0.821249 0.376293 H\n-0.020499 0.578560 0.135081 H\n0.527880 0.943213 0.481537 H\n0.532008 0.241388 0.703256 H\n-0.018890 0.042235 0.670942 H\n0.975344 0.280383 0.913350 H\n0.526297 0.479528 0.945695 H\n0.111326 0.756979 0.252207 C\n0.396039 0.764794 0.364432 C\n0.395377 0.339569 0.789186 C\n0.112007 0.182207 0.827455 C\n0.530178 0.891015 0.907281 F\n0.514136 0.299969 0.276326 F\n0.977163 0.630773 0.709367 F\n0.993253 0.221814 0.340322 F\n",
"nsites": 18,
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"elements": [
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"F"
],
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"density": 3.611999378155815,
"density_atomic": 0.10595786630876668,
"volume": 169.87884549833302,
"volume_molar": 5.6835239985402985,
"formula_full": "Sn2 H8 C4 F4",
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"spacegroup": 2
},
{
"id": "jvasp-112204",
"created_at": "2022-09-04T14:38:45.579617Z",
"updated_at": "2022-09-04T14:38:45.579641Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.381440 -0.071053 0.047724\n0.538083 4.687511 0.576909\n-0.256730 0.154743 18.015355\nSn H C F\n2 24 12 4\ndirect\n0.145340 0.222708 0.525910 Sn\n0.447711 0.816872 0.042544 Sn\n0.341177 0.554959 0.929164 H\n0.689856 0.710624 0.911483 H\n0.415039 0.167387 0.857492 H\n0.062582 0.076529 0.896410 H\n0.344291 0.869924 0.376175 H\n0.864919 0.865472 0.449995 H\n0.758053 0.228931 0.416432 H\n0.823843 0.225679 0.281512 H\n0.847245 0.851327 0.302023 H\n0.060958 0.089407 0.171635 H\n0.382511 0.132280 0.225667 H\n0.292601 0.246014 0.354791 H\n0.057760 0.678986 0.818965 H\n0.406830 0.765635 0.777729 H\n0.425038 0.152617 0.679657 H\n0.276986 0.423530 0.730833 H\n0.805516 0.489697 0.628804 H\n0.127190 0.565754 0.211352 H\n0.160695 0.633428 0.606881 H\n0.427065 0.604505 0.273030 H\n0.647282 0.443584 0.156349 H\n0.743581 0.790969 0.166862 H\n0.915011 0.930739 0.699955 H\n0.818321 0.178421 0.763152 H\n0.987318 0.033029 0.292306 C\n0.275039 0.988403 0.871527 C\n0.954739 0.068477 0.429893 C\n0.170762 0.053198 0.364041 C\n0.449020 0.754605 0.926622 C\n0.189382 0.002600 0.223684 C\n0.316108 0.694903 0.218734 C\n0.210619 0.269855 0.694637 C\n0.014293 0.059992 0.738843 C\n0.553872 0.665179 0.158302 C\n0.053097 0.436588 0.624053 C\n0.192828 0.859059 0.800978 C\n0.410399 0.247638 0.043945 F\n0.520819 0.967686 0.566607 F\n0.412981 0.502949 0.472906 F\n0.958521 0.844870 0.040048 F\n",
"nsites": 42,
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"elements": [
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"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.1598299472718523,
"density_atomic": 0.11340017872140709,
"volume": 370.3697866577653,
"volume_molar": 5.310521401200554,
"formula_full": "Sn2 H24 C12 F4",
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},
{
"id": "jvasp-112205",
"created_at": "2022-09-04T14:38:46.050349Z",
"updated_at": "2022-09-04T14:38:46.050377Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.824011 -0.115639 0.035684\n-0.175957 5.127809 -0.396243\n0.154558 0.054137 15.867750\nH Pb C O\n20 1 12 4\ndirect\n0.867091 0.578983 0.400962 H\n0.399943 0.293101 0.498145 H\n0.486597 0.173797 0.884434 H\n0.908171 0.452161 0.002262 H\n0.851537 0.422243 0.767353 H\n0.279497 0.311614 0.760184 H\n0.110936 0.609803 0.627704 H\n0.549933 0.563117 0.649381 H\n0.365061 0.804645 0.493850 H\n0.805028 0.811112 0.524750 H\n0.561093 0.018039 0.360650 H\n0.003874 0.092854 0.385626 H\n0.381742 0.307209 0.984888 H\n0.940582 0.930554 0.001434 H\n0.071527 0.876415 0.771170 H\n0.503245 0.798667 0.790491 H\n0.235714 0.088288 0.628555 H\n0.669881 0.060444 0.660140 H\n0.439508 0.482498 0.366098 H\n0.843343 0.303752 0.525731 H\n0.408572 0.819925 0.123617 Pb\n0.465202 0.363405 0.921864 C\n0.848864 0.462992 0.935567 C\n0.134454 0.460822 0.883857 C\n0.121605 0.466506 0.789458 C\n0.263046 0.728017 0.756323 C\n0.342942 0.701149 0.661203 C\n0.738826 0.161017 0.395661 C\n0.569404 0.923664 0.530001 C\n0.638364 0.183678 0.489975 C\n0.714580 0.430663 0.361164 C\n0.825806 0.481978 0.272273 C\n0.454380 0.958464 0.622936 C\n0.944226 0.009067 0.059711 O\n0.031264 0.669807 0.256460 O\n0.408187 0.144966 0.228663 O\n0.674997 0.348469 0.205414 O\n",
"nsites": 37,
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"elements": [
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],
"chemical_system": "C-H-O-Pb",
"density": 2.326066639510703,
"density_atomic": 0.11901502115096443,
"volume": 310.88512729050734,
"volume_molar": 5.059983774956629,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
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"spacegroup": 1
},
{
"id": "jvasp-112206",
"created_at": "2022-09-04T14:38:46.603582Z",
"updated_at": "2022-09-04T14:38:46.603609Z",
"structure_string": "H32 C12\n1.0\n3.481593 0.000000 -2.007996\n0.000000 12.373780 0.000000\n0.001553 0.000000 7.705357\nH C\n32 12\ndirect\n0.745553 0.051226 0.690196 H\n0.364954 0.227572 0.219623 H\n0.635044 0.772428 0.780376 H\n0.635044 0.727572 0.280376 H\n0.364954 0.272428 0.719623 H\n0.672681 0.203881 0.479340 H\n0.327317 0.796119 0.520659 H\n0.327317 0.703881 0.020659 H\n0.672681 0.296119 0.979340 H\n0.867868 0.244141 0.327245 H\n0.132130 0.755859 0.672754 H\n0.867868 0.255859 0.827245 H\n0.846770 0.402181 0.530892 H\n0.153229 0.597819 0.469108 H\n0.153228 0.902181 0.969108 H\n0.846770 0.097819 0.030892 H\n0.132131 0.744141 0.172754 H\n0.649071 0.617216 0.570155 H\n0.254445 0.948774 0.309804 H\n0.350927 0.382784 0.429845 H\n0.745554 0.448774 0.190196 H\n0.248627 0.079362 0.580620 H\n0.751371 0.920638 0.419379 H\n0.751370 0.579362 0.919379 H\n0.248628 0.420638 0.080620 H\n0.254445 0.551226 0.809804 H\n0.548273 0.032193 0.254345 H\n0.548272 0.467807 0.754345 H\n0.451726 0.532193 0.245655 H\n0.350927 0.117216 0.929845 H\n0.649071 0.882784 0.070154 H\n0.451726 0.967807 0.745655 H\n0.374315 0.756067 0.146127 C\n0.625684 0.243933 0.853872 C\n0.584626 0.374862 0.395352 C\n0.415372 0.625138 0.604648 C\n0.415373 0.874862 0.104648 C\n0.496563 0.551639 0.781279 C\n0.503435 0.448361 0.218720 C\n0.496564 0.948361 0.281279 C\n0.503434 0.051639 0.718720 C\n0.374314 0.743933 0.646127 C\n0.584626 0.125138 0.895352 C\n0.625684 0.256067 0.353872 C\n",
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"spacegroup": 14
},
{
"id": "jvasp-112207",
"created_at": "2022-09-04T14:38:44.863230Z",
"updated_at": "2022-09-04T14:38:44.863258Z",
"structure_string": "H26 C18\n1.0\n6.331047 0.013689 2.420651\n1.574676 6.499890 3.247704\n0.039510 -0.022210 8.246765\nH C\n26 18\ndirect\n0.504202 0.082493 0.103935 H\n0.861396 0.566682 0.768405 H\n0.138605 0.433319 0.231595 H\n0.726799 0.877074 0.317347 H\n0.273202 0.122926 0.682653 H\n0.252027 0.376952 0.658638 H\n0.943971 0.675106 0.401961 H\n0.056030 0.324895 0.598039 H\n0.093227 0.819940 0.557532 H\n0.906774 0.180060 0.442468 H\n0.328961 0.712876 0.413198 H\n0.671040 0.287124 0.586801 H\n0.288677 0.966412 0.401643 H\n0.747974 0.623048 0.341362 H\n0.977533 0.860374 0.823523 H\n0.711324 0.033589 0.598356 H\n0.495799 0.917507 0.896064 H\n0.661680 0.217238 0.886622 H\n0.373153 0.285197 0.932082 H\n0.626848 0.714804 0.067917 H\n0.338321 0.782762 0.113378 H\n-0.000566 0.624928 0.012785 H\n0.942490 0.165338 0.983356 H\n0.057511 0.834662 0.016644 H\n0.022468 0.139627 0.176477 H\n0.000567 0.375072 0.987215 H\n0.267973 0.811300 0.497705 C\n0.631003 0.679221 0.599635 C\n0.732028 0.188701 0.502295 C\n0.075541 0.755532 0.924351 C\n0.924460 0.244468 0.075649 C\n0.489553 0.765963 0.005202 C\n0.510448 0.234037 0.994798 C\n0.368999 0.320779 0.400364 C\n0.501223 0.388181 0.077650 C\n0.609289 0.271319 0.356023 C\n0.309603 0.694495 0.828864 C\n0.690398 0.305505 0.171135 C\n0.498778 0.611819 0.922349 C\n0.694349 0.610981 0.758174 C\n0.305652 0.389019 0.241826 C\n0.229312 0.285478 0.594280 C\n0.390713 0.728681 0.643976 C\n0.770689 0.714523 0.405719 C\n",
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},
{
"id": "jvasp-112208",
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