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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=25",
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"results": [
{
"id": "jvasp-112252",
"created_at": "2022-09-04T14:38:44.219591Z",
"updated_at": "2022-09-04T14:38:44.219620Z",
"structure_string": "H24 C22 O6\n1.0\n6.077393 0.051228 0.866775\n3.009994 8.090414 0.599534\n-0.126685 0.010468 9.149858\nH C O\n24 22 6\ndirect\n0.156196 0.903451 0.930080 H\n0.551752 0.702168 0.123972 H\n0.448248 0.297832 0.876029 H\n0.524187 0.945545 0.216135 H\n0.475813 0.054455 0.783865 H\n0.127020 0.717122 0.525031 H\n0.872980 0.282878 0.474969 H\n0.083985 0.101919 0.548312 H\n0.210534 0.819011 0.365346 H\n0.789466 0.180989 0.634654 H\n0.305678 0.450266 0.508555 H\n0.694322 0.549734 0.491445 H\n0.916014 0.898081 0.451688 H\n0.517630 0.520752 0.651093 H\n0.482370 0.479248 0.348907 H\n0.215787 0.825165 0.750369 H\n0.784212 0.174835 0.249631 H\n0.422149 0.596392 0.910953 H\n0.577851 0.403608 0.089048 H\n0.843803 0.096549 0.069920 H\n0.829447 0.366568 0.958573 H\n0.579712 0.708116 0.623941 H\n0.420287 0.291884 0.376059 H\n0.170552 0.633432 0.041427 H\n0.653428 0.573199 0.610262 C\n0.715553 0.646684 0.174543 C\n0.284446 0.353316 0.825457 C\n0.790262 0.746059 0.256545 C\n0.209738 0.253941 0.743455 C\n0.065381 0.783586 0.422709 C\n0.934619 0.216414 0.577291 C\n-0.004310 0.676812 0.328345 C\n0.004310 0.323188 0.671655 C\n0.346571 0.426801 0.389738 C\n0.129590 0.506727 0.312636 C\n0.127937 0.133166 0.154697 C\n0.053204 0.412946 0.226022 C\n0.946795 0.587054 0.773978 C\n0.846003 0.477779 0.159211 C\n0.153996 0.522221 0.840789 C\n0.770936 0.363411 0.077582 C\n0.229064 0.636589 0.922419 C\n0.872040 0.185702 0.138062 C\n0.127960 0.814298 0.861938 C\n0.872062 0.866834 0.845303 C\n0.870409 0.493273 0.687364 C\n0.795600 0.753417 0.797035 O\n0.336156 0.089256 0.727158 O\n0.663843 0.910744 0.272842 O\n0.726799 0.007439 0.867575 O\n0.273201 0.992561 0.132426 O\n0.204400 0.246583 0.202965 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4206078634726265,
"density_atomic": 0.11572303627725425,
"volume": 449.34873533231666,
"volume_molar": 5.203925643267685,
"formula_full": "H24 C22 O6",
"formula_reduced": "H12C11O3",
"formula_anonymous": "A3B11C12",
"energy_above_hull": 5.1316211730769234,
"spacegroup": 2
},
{
"id": "jvasp-97666",
"created_at": "2022-09-04T14:35:59.541434Z",
"updated_at": "2022-09-04T14:35:59.541465Z",
"structure_string": "Mg2 P4 H24 O22\n1.0\n7.331107 -0.010252 -2.341945\n3.486888 8.467901 -0.703564\n-0.140597 0.161529 7.416320\nMg P H O\n2 4 24 22\ndirect\n0.781035 0.707396 0.645163 Mg\n0.218965 0.292604 0.354837 Mg\n0.903408 0.317009 0.601533 P\n0.096592 0.682992 0.398467 P\n0.575257 0.072224 0.755889 P\n0.424744 0.927776 0.244111 P\n0.200210 0.557095 0.822795 H\n0.799790 0.442905 0.177205 H\n0.521376 0.389091 0.863110 H\n0.478624 0.610909 0.136890 H\n0.896468 0.059723 0.265112 H\n0.103533 0.940277 0.734888 H\n0.919003 0.399067 0.030109 H\n0.027814 0.953256 0.784398 H\n0.972186 0.046744 0.215602 H\n0.386563 0.483784 0.662257 H\n0.080997 0.600933 0.969891 H\n0.613437 0.516216 0.337743 H\n0.568792 0.774375 0.883804 H\n0.431209 0.225625 0.116196 H\n0.072827 0.193106 0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 1.9919803024497817,
"density_atomic": 0.1136889485229435,
"volume": 457.38834491468543,
"volume_molar": 5.29703268280705,
"formula_full": "Mg2 P4 H24 O22",
"formula_reduced": "MgP2H12O11",
"formula_anonymous": "AB2C11D12",
"energy_above_hull": 3.0198260980769227,
"spacegroup": 2
},
{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Si",
"P",
"H"
],
"chemical_system": "H-P-Si",
"density": 1.15077598928981,
"density_atomic": 0.07247828385727682,
"volume": 717.4562811448135,
"volume_molar": 8.308889835000386,
"formula_full": "Si12 P4 H36",
"formula_reduced": "Si3PH9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.3557362538461537,
"spacegroup": 14
},
{
"id": "jvasp-97662",
"created_at": "2022-09-04T14:35:55.311094Z",
"updated_at": "2022-09-04T14:35:55.311121Z",
"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n",
"nsites": 52,
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"elements": [
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"Li",
"H",
"C",
"O"
],
"chemical_system": "C-H-Li-Na-O",
"density": 1.7242435335112647,
"density_atomic": 0.09783039234062818,
"volume": 531.5321625098381,
"volume_molar": 6.155695194425845,
"formula_full": "Na4 Li4 H16 C8 O20",
"formula_reduced": "NaLiH4C2O5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 3.1503305000000004,
"spacegroup": 2
},
{
"id": "jvasp-89041",
"created_at": "2022-09-04T14:35:51.176333Z",
"updated_at": "2022-09-04T14:35:51.176349Z",
"structure_string": "Ba4 Mg8 V8 O32\n1.0\n7.664694 0.000075 3.694616\n3.832401 8.837261 1.847374\n-0.004786 0.000074 9.808018\nBa Mg V O\n4 8 8 32\ndirect\n0.375001 0.249999 0.750002 Ba\n0.124998 0.749999 0.250000 Ba\n0.624998 0.750000 0.249999 Ba\n0.875001 0.250000 0.750001 Ba\n0.957159 0.249998 0.085680 Mg\n0.042841 0.750001 0.914320 Mg\n0.457158 0.585679 0.749998 Mg\n0.792840 0.914318 0.750002 Mg\n0.707159 0.749998 0.585681 Mg\n0.542841 0.414320 0.250002 Mg\n0.292840 0.250001 0.414319 Mg\n0.207159 0.085681 0.249999 Mg\n0.750000 0.081344 0.418656 V\n0.250000 0.418652 0.081348 V\n0.668653 0.081348 0.081346 V\n0.168653 0.581345 0.581348 V\n0.250000 0.918655 0.581345 V\n0.750000 0.581347 0.918653 V\n0.831346 0.418654 0.418653 V\n0.331346 0.918651 0.918655 V\n0.957654 0.733495 0.585756 O\n0.776910 0.414242 0.266505 O\n0.543411 0.233495 0.414244 O\n0.191148 0.266507 0.085757 O\n0.457654 0.085755 0.233497 O\n0.276910 0.766504 0.914243 O\n0.349647 0.585368 0.411108 O\n0.223089 0.585756 0.733495 O\n0.346123 0.914631 0.088891 O\n0.260757 0.088889 0.585367 O\n0.935014 0.411107 0.914632 O\n0.150352 0.088892 0.914632 O\n0.564985 0.585368 0.088892 O\n0.239242 0.914633 0.411110 O\n0.153877 0.411109 0.585369 O\n0.650352 0.414631 0.588893 O\n0.653876 0.085368 0.911110 O\n0.739242 0.911110 0.414634 O\n0.043411 0.914243 0.733495 O\n0.064986 0.588892 0.085368 O\n0.435014 0.414631 0.911108 O\n0.760757 0.085366 0.588890 O\n0.846123 0.588890 0.414631 O\n0.723089 0.233495 0.085757 O\n0.042345 0.266504 0.414244 O\n0.308851 0.414242 0.233493 O\n0.956588 0.085756 0.266505 O\n0.542345 0.914244 0.766504 O\n0.808851 0.733492 0.914243 O\n0.456588 0.766504 0.585757 O\n0.849647 0.911107 0.085368 O\n0.691148 0.585757 0.766507 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
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"Mg",
"V",
"O"
],
"chemical_system": "Ba-Mg-O-V",
"density": 4.156381420537027,
"density_atomic": 0.0782544942272059,
"volume": 664.4985762609621,
"volume_molar": 7.695584540505977,
"formula_full": "Ba4 Mg8 V8 O32",
"formula_reduced": "BaMg2V2O8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.236509266923077,
"spacegroup": 142
},
{
"id": "jvasp-91225",
"created_at": "2022-09-04T14:35:51.806801Z",
"updated_at": "2022-09-04T14:35:51.806828Z",
"structure_string": "Li16 U4 F32\n1.0\n5.801366 0.000000 -0.000000\n0.000000 10.057529 0.000000\n0.000000 0.000000 9.794113\nLi U F\n16 4 32\ndirect\n0.870229 0.419778 0.899670 Li\n0.629772 0.419778 0.399670 Li\n0.129771 0.580222 0.100330 Li\n0.878713 0.946919 0.628307 Li\n0.378713 0.053081 0.871693 Li\n0.121288 0.446919 0.371693 Li\n0.621288 0.553081 0.128307 Li\n0.621288 0.946919 0.128307 Li\n0.121288 0.053081 0.371693 Li\n0.378713 0.446919 0.871693 Li\n0.370229 0.919778 0.600330 Li\n0.870229 0.080222 0.899670 Li\n0.629772 0.080222 0.399670 Li\n0.129771 0.919778 0.100330 Li\n0.370229 0.580222 0.600330 Li\n0.878713 0.553081 0.628307 Li\n0.868351 0.750000 0.363075 U\n0.368351 0.250000 0.136925 U\n0.131650 0.250000 0.636924 U\n0.631650 0.750000 0.863075 U\n0.625934 0.969991 0.760773 F\n0.114266 0.613808 0.481271 F\n0.114266 0.886193 0.481271 F\n0.614267 0.386193 0.018728 F\n0.874067 0.530009 0.260773 F\n0.867059 0.889885 0.983478 F\n0.367058 0.110115 0.516522 F\n0.132942 0.389885 0.016522 F\n0.632942 0.610115 0.483478 F\n0.132942 0.110115 0.016522 F\n0.632942 0.889885 0.483478 F\n0.867059 0.610115 0.983478 F\n0.367058 0.389885 0.516522 F\n0.385734 0.886193 0.981271 F\n0.885734 0.113808 0.518728 F\n0.129937 0.750000 0.199753 F\n0.629937 0.250000 0.300247 F\n0.870064 0.250000 0.800247 F\n0.370063 0.750000 0.699753 F\n0.622104 0.750000 0.190341 F\n0.122103 0.250000 0.309659 F\n0.377897 0.250000 0.809659 F\n0.877897 0.750000 0.690341 F\n0.125934 0.469991 0.739227 F\n0.625934 0.530009 0.760773 F\n0.385734 0.613808 0.981271 F\n0.374067 0.030009 0.239227 F\n0.614267 0.113808 0.018728 F\n0.374067 0.469991 0.239227 F\n0.125934 0.030009 0.739227 F\n0.885734 0.386193 0.518728 F\n0.874067 0.969991 0.260773 F\n",
"nsites": 52,
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"elements": [
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"U",
"F"
],
"chemical_system": "F-Li-U",
"density": 4.855905272378372,
"density_atomic": 0.09099482086738249,
"volume": 571.4610953054762,
"volume_molar": 6.618113759217986,
"formula_full": "Li16 U4 F32",
"formula_reduced": "Li4UF8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.4538467892307692,
"spacegroup": 62
},
{
"id": "jvasp-101780",
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