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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4618",
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"results": [
{
"id": "jvasp-97696",
"created_at": "2022-09-04T14:35:43.953804Z",
"updated_at": "2022-09-04T14:35:43.953822Z",
"structure_string": "K12 Bi4 Se12\n1.0\n9.725069 0.000000 0.000000\n0.000000 9.725069 0.000000\n0.000000 -0.000000 9.725069\nK Bi Se\n12 4 12\ndirect\n0.325285 0.325285 0.325285 K\n0.174715 0.674715 0.825285 K\n0.825285 0.174715 0.674715 K\n0.674715 0.825285 0.174715 K\n0.571606 0.571606 0.571606 K\n0.928394 0.428394 0.071606 K\n0.071606 0.928394 0.428394 K\n0.428394 0.071606 0.928394 K\n0.815397 0.815397 0.815397 K\n0.684603 0.184603 0.315397 K\n0.315397 0.684603 0.184603 K\n0.184603 0.315397 0.684603 K\n0.461169 0.961169 0.538831 Bi\n0.961169 0.538831 0.461169 Bi\n0.538831 0.461169 0.961169 Bi\n0.038831 0.038831 0.038831 Bi\n0.116014 -0.000530 0.772549 Se\n0.227452 0.616014 0.500531 Se\n0.500531 0.227452 0.616014 Se\n0.616014 0.500531 0.227452 Se\n0.883986 0.499470 0.727452 Se\n0.000530 0.272548 0.383986 Se\n0.383986 0.000530 0.272548 Se\n-0.000530 0.772549 0.116014 Se\n0.499470 0.727452 0.883986 Se\n0.772549 0.116014 -0.000530 Se\n0.272548 0.383986 0.000530 Se\n0.727452 0.883986 0.499470 Se\n",
"nsites": 28,
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"K",
"Bi",
"Se"
],
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"density_atomic": 0.030442474945018557,
"volume": 919.7675304182773,
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"formula_full": "K12 Bi4 Se12",
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"formula_anonymous": "AB3C3",
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"spacegroup": 198
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{
"id": "jvasp-97328",
"created_at": "2022-09-04T14:36:02.397288Z",
"updated_at": "2022-09-04T14:36:02.397313Z",
"structure_string": "K8 Si8 Sb8 O40\n1.0\n6.522980 0.000000 0.000000\n0.000000 10.746569 0.000000\n0.000000 0.000000 13.123108\nK Si Sb O\n8 8 8 40\ndirect\n0.804066 0.062139 0.607414 K\n0.304066 0.562139 0.892587 K\n0.695934 0.062139 0.107414 K\n0.774269 0.307917 0.382074 K\n0.274269 0.807917 0.117927 K\n0.725730 0.307917 0.882074 K\n0.225731 0.807917 0.617927 K\n0.195934 0.562139 0.392587 K\n0.004086 0.001341 0.318641 Si\n0.824815 0.750722 0.000510 Si\n0.324816 0.250722 0.499491 Si\n0.675184 0.750722 0.500510 Si\n0.175184 0.250722 -0.000510 Si\n0.504086 0.501341 0.181359 Si\n0.495914 0.001341 0.818641 Si\n0.995914 0.501341 0.681359 Si\n0.500811 0.001332 0.381830 Sb\n0.753739 0.749599 0.252895 Sb\n0.246261 0.249599 0.747105 Sb\n0.746261 0.749599 0.752895 Sb\n0.253739 0.249599 0.247105 Sb\n0.000811 0.501332 0.118170 Sb\n-0.000811 0.001332 0.881830 Sb\n0.499189 0.501332 0.618170 Sb\n0.198710 0.973516 0.393982 O\n0.325558 0.232300 0.098364 O\n0.825558 0.732300 0.401636 O\n0.174442 0.232300 0.598364 O\n0.681318 0.766519 0.102427 O\n0.318682 0.266519 0.897573 O\n0.818682 0.766519 0.602427 O\n0.181318 0.266519 0.397573 O\n0.530429 0.874821 0.272481 O\n0.533536 0.877422 0.492487 O\n0.469571 0.374821 0.727519 O\n0.969571 0.874821 0.772481 O\n0.030429 0.374821 0.227519 O\n0.482446 0.131897 0.274321 O\n0.517554 0.631897 0.725679 O\n0.017554 0.131897 0.774321 O\n0.982446 0.631897 0.225679 O\n0.957907 0.886203 0.239292 O\n0.042093 0.386203 0.760708 O\n0.542093 0.886203 0.739292 O\n0.457907 0.386203 0.260708 O\n0.042805 0.117228 0.238478 O\n0.957195 0.617228 0.761522 O\n0.033536 0.377422 0.007513 O\n0.457195 0.117228 0.738478 O\n0.542805 0.617228 0.261522 O\n0.801290 0.473516 0.606018 O\n0.301290 0.973516 0.893982 O\n0.698710 0.473516 0.106018 O\n0.806919 0.033186 0.391804 O\n0.193081 0.533186 0.608197 O\n0.693081 0.033186 0.891804 O\n0.306919 0.533186 0.108196 O\n0.487678 0.134858 0.488235 O\n0.512322 0.634858 0.511765 O\n0.012322 0.134858 0.988235 O\n0.987678 0.634858 0.011765 O\n0.466464 0.377422 0.507513 O\n0.674442 0.732300 0.901636 O\n0.966464 0.877422 0.992487 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"K",
"Si",
"Sb",
"O"
],
"chemical_system": "K-O-Sb-Si",
"density": 3.883677826125578,
"density_atomic": 0.06957086330821191,
"volume": 919.9253388084039,
"volume_molar": 8.65612481092953,
"formula_full": "K8 Si8 Sb8 O40",
"formula_reduced": "KSiSbO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.0306375249999995,
"spacegroup": 33
},
{
"id": "jvasp-98433",
"created_at": "2022-09-04T14:35:45.972517Z",
"updated_at": "2022-09-04T14:35:45.972539Z",
"structure_string": "K8 Te2 P8 H20 O40\n1.0\n4.782786 5.686005 -0.763279\n-4.782786 5.686005 0.763279\n0.087978 -0.000000 16.919907\nK Te P H O\n8 2 8 20 40\ndirect\n0.076500 0.076500 0.250000 K\n0.923501 0.923501 0.750000 K\n0.204906 0.547647 0.930816 K\n0.547647 0.204906 0.569184 K\n0.795095 0.452354 0.069184 K\n0.452354 0.795095 0.430816 K\n0.290060 0.290059 0.750000 K\n0.709941 0.709941 0.250000 K\n0.000000 -0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.645054 0.233624 0.263902 P\n0.233624 0.645054 0.236098 P\n0.354947 0.766377 0.736098 P\n0.766377 0.354947 0.763902 P\n0.348401 0.365211 0.133326 P\n0.365211 0.348401 0.366674 P\n0.651600 0.634790 0.866674 P\n0.634790 0.651600 0.633326 P\n0.790233 0.569773 0.475449 H\n0.569773 0.790232 0.024551 H\n0.209768 0.430227 0.524552 H\n0.430228 0.209768 0.975449 H\n0.896175 0.450581 0.419113 H\n0.450581 0.896175 0.080887 H\n0.103826 0.549420 0.580887 H\n0.549420 0.103826 0.919113 H\n0.001885 0.735037 0.424080 H\n0.735037 0.001885 0.075920 H\n0.187959 0.130011 0.097302 H\n0.264964 0.998115 0.924080 H\n0.734083 0.024087 0.401862 H\n0.024087 0.734083 0.098138 H\n0.265918 0.975914 0.598138 H\n0.975914 0.265918 0.901862 H\n0.869989 0.812042 0.597302 H\n0.812042 0.869989 0.902698 H\n0.130012 0.187959 0.402698 H\n0.998116 0.264964 0.575920 H\n0.842803 0.676048 0.869666 O\n0.323953 0.157198 0.369666 O\n0.157198 0.323953 0.130334 O\n0.442353 0.365224 0.059618 O\n0.557648 0.634777 0.940382 O\n0.365224 0.442353 0.440382 O\n0.676048 0.842803 0.630334 O\n0.634777 0.557648 0.559618 O\n0.956903 0.279153 0.802348 O\n0.653750 0.233938 0.724067 O\n0.043098 0.720848 0.197652 O\n0.720848 0.043098 0.302348 O\n0.233939 0.653750 0.775933 O\n0.766062 0.346251 0.224067 O\n0.346251 0.766062 0.275933 O\n0.421457 0.157699 0.923911 O\n0.157699 0.421457 0.576089 O\n0.279153 0.956903 0.697652 O\n0.443578 0.643502 0.669993 O\n0.207378 0.003216 0.079698 O\n0.556423 0.356498 0.330007 O\n0.578544 0.842302 0.076089 O\n0.003216 0.207378 0.420302 O\n0.792623 0.996785 0.920302 O\n0.996785 0.792623 0.579698 O\n0.994249 0.257868 0.962164 O\n0.257868 0.994249 0.537836 O\n0.005752 0.742133 0.037836 O\n0.742133 0.005752 0.462164 O\n0.165840 0.921728 0.922253 O\n0.921728 0.165840 0.577748 O\n0.834161 0.078273 0.077748 O\n0.078273 0.834161 0.422253 O\n0.466818 0.215874 0.203948 O\n0.215874 0.466818 0.296052 O\n0.533183 0.784127 0.796052 O\n0.784127 0.533183 0.703948 O\n0.356499 0.556423 0.169993 O\n0.643502 0.443578 0.830008 O\n0.842302 0.578544 0.423911 O\n",
"nsites": 78,
"nelements": 5,
"elements": [
"K",
"Te",
"P",
"H",
"O"
],
"chemical_system": "H-K-O-P-Te",
"density": 2.660927047209981,
"density_atomic": 0.08468728627457678,
"volume": 921.0355347449088,
"volume_molar": 7.1110328656355275,
"formula_full": "K8 Te2 P8 H20 O40",
"formula_reduced": "K4TeP4(HO2)10",
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},
{
"id": "jvasp-98241",
"created_at": "2022-09-04T14:36:04.966345Z",
"updated_at": "2022-09-04T14:36:04.966372Z",
"structure_string": "K16 Al16 O32\n1.0\n5.434692 0.000000 0.000000\n0.000000 10.914780 0.000000\n0.000000 0.000000 15.526966\nK Al O\n16 16 32\ndirect\n0.295483 0.261555 0.315228 K\n0.755144 0.010788 0.061679 K\n0.255144 0.489212 0.938321 K\n0.244856 0.510788 0.438321 K\n0.744856 0.989212 0.561679 K\n0.244856 0.989212 0.938321 K\n0.744856 0.510788 0.061679 K\n0.755144 0.489212 0.561679 K\n0.795483 0.238445 0.684773 K\n0.795483 0.261555 0.184773 K\n0.295483 0.238445 0.815228 K\n0.204516 0.761555 0.315228 K\n0.704516 0.738445 0.684773 K\n0.204516 0.738445 0.815228 K\n0.704516 0.761555 0.184773 K\n0.255144 0.010788 0.438321 K\n0.758322 0.492149 0.811317 Al\n0.741677 0.507851 0.311317 Al\n0.241677 0.992149 0.688683 Al\n0.741677 0.992149 0.811317 Al\n0.241677 0.507851 0.188683 Al\n0.258323 0.492149 0.688683 Al\n0.758322 0.007851 0.311317 Al\n0.719220 0.762432 0.436197 Al\n0.780779 0.237568 0.936197 Al\n0.219220 0.737568 0.563803 Al\n0.719220 0.737568 0.936197 Al\n0.219220 0.762432 0.063803 Al\n0.280780 0.237568 0.563803 Al\n0.258323 0.007851 0.188683 Al\n0.280780 0.262432 0.063803 Al\n0.780779 0.262432 0.436197 Al\n0.551229 0.483369 0.220300 O\n0.429490 0.789609 0.484715 O\n0.051229 0.016631 0.779700 O\n0.448771 0.983369 0.279700 O\n0.948771 0.516631 0.720301 O\n0.448771 0.516631 0.779700 O\n0.948771 0.983369 0.220300 O\n0.551229 0.016631 0.720301 O\n0.051229 0.483369 0.279700 O\n0.808399 0.158928 0.349202 O\n0.308399 0.341072 0.650799 O\n0.191600 0.658928 0.150798 O\n0.691600 0.841072 0.849202 O\n0.191600 0.841072 0.650799 O\n0.691600 0.658928 0.349202 O\n0.070510 0.210391 0.984715 O\n0.808399 0.341072 0.849202 O\n0.669513 0.403862 0.395235 O\n0.169514 0.096138 0.604765 O\n0.330486 0.903862 0.104765 O\n0.830486 0.596138 0.895235 O\n0.330486 0.596138 0.604765 O\n0.830486 0.903862 0.395235 O\n0.669513 0.096138 0.895235 O\n0.169514 0.403862 0.104765 O\n0.070510 0.289609 0.484715 O\n0.570510 0.210391 0.515286 O\n0.929489 0.789609 0.015286 O\n0.429490 0.710391 0.984715 O\n0.929489 0.710391 0.515286 O\n0.570510 0.289609 0.015286 O\n0.308399 0.158928 0.150798 O\n",
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"chemical_system": "Al-K-O",
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"density_atomic": 0.06948698193896016,
"volume": 921.0358287861729,
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"formula_full": "K16 Al16 O32",
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},
{
"id": "jvasp-91233",
"created_at": "2022-09-04T14:35:57.541754Z",
"updated_at": "2022-09-04T14:35:57.541780Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n",
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"elements": [
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],
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"density_atomic": 0.07376243946218318,
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"formula_full": "Al8 Pb12 F48",
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},
{
"id": "jvasp-25661",
"created_at": "2022-09-04T14:38:16.728756Z",
"updated_at": "2022-09-04T14:38:16.728773Z",
"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
"nsites": 32,
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"elements": [
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"S"
],
"chemical_system": "Ag-Rb-S-Sb",
"density": 3.801240943498041,
"density_atomic": 0.03463022357515869,
"volume": 924.0483224299645,
"volume_molar": 17.389840833484726,
"formula_full": "Rb8 Ag4 Sb4 S16",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 14
},
{
"id": "jvasp-76915",
"created_at": "2022-09-04T14:38:05.788481Z",
"updated_at": "2022-09-04T14:38:05.788498Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-8.049831 -0.000000 -4.647572\n-9.202244 0.233492 6.643610\n-5.860761 9.684633 0.855991\nSc Ni Pd\n2 1 1\ndirect\n0.760778 0.000000 -0.000000 Sc\n0.239221 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Sc",
"density": 0.45823261763146134,
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"volume": 924.1580174046096,
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"formula_full": "Sc2 Ni1 Pd1",
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