{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3410","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3408","results":[{"id":"jvasp-48694","created_at":"2022-09-04T14:35:42.307515Z","updated_at":"2022-09-04T14:35:42.307553Z","structure_string":"Li4 Fe4 O2 F8\n1.0\n2.860657 0.000000 0.000000\n-1.430329 4.863668 0.000000\n0.000000 0.000000 12.762734\nLi Fe O F\n4 4 2 8\ndirect\n0.225100 0.450200 0.888174 Li\n0.774901 0.549801 0.388175 Li\n0.488811 0.977620 0.992314 Li\n0.511190 0.022380 0.492314 Li\n0.037829 0.075658 0.257992 Fe\n0.249404 0.498807 0.616536 Fe\n0.962172 0.924343 0.757992 Fe\n0.750597 0.501193 0.116536 Fe\n0.675929 0.351856 0.254233 O\n0.324072 0.648145 0.754233 O\n0.127177 0.254353 0.028431 F\n0.151318 0.302638 0.465949 F\n0.421562 0.843124 0.143613 F\n0.420727 0.841453 0.352755 F\n0.578439 0.156877 0.643613 F\n0.872824 0.745647 0.528431 F\n0.579274 0.158548 0.852755 F\n0.848683 0.697363 0.965949 F\n","nsites":18,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":4.069065888321202,"density_atomic":0.10136757979078727,"volume":177.57156713369534,"volume_molar":5.9408942902939055,"formula_full":"Li4 Fe4 O2 F8","formula_reduced":"Li2Fe2OF4","formula_anonymous":"AB2C2D4","energy_above_hull":1.0779439588888888,"spacegroup":36},{"id":"jvasp-36718","created_at":"2022-09-04T14:37:53.256589Z","updated_at":"2022-09-04T14:37:53.256604Z","structure_string":"Na8 Zr4 O12\n1.0\n-5.346638 0.000000 1.811553\n-2.673319 4.895430 0.905776\n-5.334296 0.000000 -9.743276\nNa Zr O\n8 4 12\ndirect\n0.915158 0.669685 0.250000 Na\n0.084843 0.330315 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.841976 0.342341 0.499722 Na\n0.315683 0.342341 0.000278 Na\n0.158024 0.657659 0.500278 Na\n0.684318 0.657659 0.999722 Na\n0.750306 0.999388 0.750000 Zr\n0.249695 0.000612 0.250000 Zr\n0.582034 0.335933 0.250000 Zr\n0.417967 0.664067 0.750000 Zr\n0.048228 0.699023 0.857361 O\n0.679600 0.330578 0.855862 O\n0.489822 0.330578 0.644139 O\n0.320401 0.669422 0.144138 O\n0.510178 0.669422 0.355862 O\n0.879363 0.039603 0.355563 O\n0.581034 0.039603 0.144438 O\n0.120638 0.960397 0.644437 O\n0.418967 0.960397 0.855563 O\n0.951773 0.300977 0.142640 O\n0.247250 0.300977 0.357361 O\n0.752751 0.699023 0.642640 O\n","nsites":24,"nelements":3,"elements":["Na","Zr","O"],"chemical_system":"Na-O-Zr","density":4.068892356204038,"density_atomic":0.07938405774806989,"volume":302.32770509370346,"volume_molar":7.586083315508547,"formula_full":"Na8 Zr4 O12","formula_reduced":"Na2ZrO3","formula_anonymous":"AB2C3","energy_above_hull":1.4055871666666668,"spacegroup":15},{"id":"jvasp-28345","created_at":"2022-09-04T14:37:51.998026Z","updated_at":"2022-09-04T14:37:51.998051Z","structure_string":"Ga2 N2\n1.0\n3.211252 -0.000000 0.000000\n-1.605626 2.781153 -0.000000\n-0.000000 -0.000000 7.652274\nGa N\n2 2\ndirect\n0.333348 0.666697 0.940006 Ga\n0.666650 0.333302 0.440006 Ga\n-0.000016 -0.000034 0.439993 N\n0.000016 0.000034 0.939993 N\n","nsites":4,"nelements":2,"elements":["Ga","N"],"chemical_system":"Ga-N","density":4.0688234606299964,"density_atomic":0.05852887951580355,"volume":68.34233002734912,"volume_molar":10.289178282276776,"formula_full":"Ga2 N2","formula_reduced":"GaN","formula_anonymous":"AB","energy_above_hull":1.4993777874999996,"spacegroup":194},{"id":"jvasp-120869","created_at":"2022-09-04T14:38:52.136879Z","updated_at":"2022-09-04T14:38:52.136901Z","structure_string":"Ba1 Tl1 O1\n1.0\n4.243786 0.000000 0.000000\n0.000000 4.243786 0.000000\n0.000000 0.000000 8.106221\nBa Tl O\n1 1 1\ndirect\n0.000000 0.000000 0.441394 Ba\n0.000000 0.000000 -0.023030 Tl\n0.000000 0.000000 0.716961 O\n","nsites":3,"nelements":3,"elements":["Ba","Tl","O"],"chemical_system":"Ba-O-Tl","density":4.068688329986826,"density_atomic":0.02054924468658589,"volume":145.99076733746503,"volume_molar":29.30589835222083,"formula_full":"Ba1 Tl1 O1","formula_reduced":"BaTlO","formula_anonymous":"ABC","energy_above_hull":0.2309340233333333,"spacegroup":99},{"id":"jvasp-112503","created_at":"2022-09-04T14:38:41.381347Z","updated_at":"2022-09-04T14:38:41.381368Z","structure_string":"Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n","nsites":28,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.068637549693903,"density_atomic":0.11262510446865297,"volume":248.612422000401,"volume_molar":5.347067857039057,"formula_full":"Li8 Mn6 O14","formula_reduced":"Li4Mn3O7","formula_anonymous":"A3B4C7","energy_above_hull":2.7097604445812804,"spacegroup":2},{"id":"jvasp-93923","created_at":"2022-09-04T14:36:01.085939Z","updated_at":"2022-09-04T14:36:01.085967Z","structure_string":"Ce2 Mg4\n1.0\n5.749655 0.000000 -0.000000\n-2.874828 4.979348 -0.000000\n-0.000000 0.000000 5.380916\nCe Mg\n2 4\ndirect\n0.666666 0.333333 0.500000 Ce\n0.333333 0.666667 0.500000 Ce\n0.684545 1.000000 0.000000 Mg\n0.315454 0.315455 0.000000 Mg\n-0.000000 0.684546 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n","nsites":6,"nelements":2,"elements":["Ce","Mg"],"chemical_system":"Ce-Mg","density":4.068556487511633,"density_atomic":0.0389476063705161,"volume":154.05311286451962,"volume_molar":15.4621588364384,"formula_full":"Ce2 Mg4","formula_reduced":"CeMg2","formula_anonymous":"AB2","energy_above_hull":0.5890251190476191,"spacegroup":189},{"id":"jvasp-93722","created_at":"2022-09-04T14:36:14.424150Z","updated_at":"2022-09-04T14:36:14.424164Z","structure_string":"Ce2 Mg4\n1.0\n5.751579 0.000000 -0.000000\n-2.875790 4.981014 0.000000\n-0.000000 0.000000 5.377320\nCe Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666666 0.500000 Ce\n0.684729 0.999999 0.000000 Mg\n0.315270 0.315270 0.000000 Mg\n-0.000000 0.684729 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n","nsites":6,"nelements":2,"elements":["Ce","Mg"],"chemical_system":"Ce-Mg","density":4.068554096474691,"density_atomic":0.038947583481521955,"volume":154.05320339955372,"volume_molar":15.462167923350385,"formula_full":"Ce2 Mg4","formula_reduced":"CeMg2","formula_anonymous":"AB2","energy_above_hull":0.5890051190476191,"spacegroup":189},{"id":"jvasp-36727","created_at":"2022-09-04T14:38:05.201616Z","updated_at":"2022-09-04T14:38:05.201643Z","structure_string":"Rb2 Ba2 Si2 H2 O8\n1.0\n0.000000 5.940888 -0.024179\n8.175521 0.000000 0.000000\n0.000000 -2.849092 -5.297386\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.365541 0.229258 0.711683 Rb\n0.634461 0.729258 0.288318 Rb\n0.013470 0.484411 0.004912 Ba\n0.986531 0.984411 0.995089 Ba\n0.694809 0.245929 0.377653 Si\n0.305192 0.745928 0.622348 Si\n0.513292 0.009448 0.454748 H\n0.486709 0.509447 0.545253 H\n0.844463 0.241203 0.208919 O\n0.155538 0.741203 0.791082 O\n0.885914 0.236256 0.681703 O\n0.114088 0.736255 0.318298 O\n0.493011 0.399365 0.309684 O\n0.506990 0.899365 0.690317 O\n0.507795 0.071132 0.305247 O\n0.492206 0.571132 0.694754 O\n","nsites":16,"nelements":5,"elements":["Rb","Ba","Si","H","O"],"chemical_system":"Ba-H-O-Rb-Si","density":4.068471027484291,"density_atomic":0.06205002468982901,"volume":257.85646468280385,"volume_molar":9.705299538723835,"formula_full":"Rb2 Ba2 Si2 H2 O8","formula_reduced":"RbBaSiHO4","formula_anonymous":"ABCDE4","energy_above_hull":1.7496623212499998,"spacegroup":4},{"id":"jvasp-91424","created_at":"2022-09-04T14:36:02.362516Z","updated_at":"2022-09-04T14:36:02.362541Z","structure_string":"Ca12 Nb16 O48 F8\n1.0\n10.562804 -0.000000 -0.000000\n0.000000 10.562804 -0.000000\n-0.000000 -0.000000 10.562804\nCa Nb O F\n12 16 48 8\ndirect\n0.875000 0.864650 0.614651 Ca\n0.385349 0.375000 0.635349 Ca\n0.135349 0.114651 0.625000 Ca\n0.114651 0.625000 0.135349 Ca\n0.625000 0.135349 0.114651 Ca\n0.364651 0.885349 0.125000 Ca\n0.614651 0.875000 0.864650 Ca\n0.375000 0.635349 0.385349 Ca\n0.864650 0.614651 0.875000 Ca\n0.635349 0.385349 0.375000 Ca\n0.885349 0.125000 0.364651 Ca\n0.125000 0.364651 0.885349 Ca\n0.125000 0.623592 0.626408 Nb\n0.125000 0.125000 0.125000 Nb\n0.625000 0.876407 0.373592 Nb\n0.376408 0.126408 0.375000 Nb\n0.623592 0.626408 0.125000 Nb\n0.625000 0.375000 0.875000 Nb\n0.123592 0.873592 0.875000 Nb\n0.876407 0.373592 0.625000 Nb\n0.375000 0.875000 0.625000 Nb\n0.375000 0.376408 0.126408 Nb\n0.626408 0.125000 0.623592 Nb\n0.875000 0.625000 0.375000 Nb\n0.373592 0.625000 0.876407 Nb\n0.873592 0.875000 0.123592 Nb\n0.875000 0.123592 0.873592 Nb\n0.126408 0.375000 0.376408 Nb\n0.489535 0.491667 0.811803 O\n0.258333 0.739535 0.561803 O\n0.561803 0.258333 0.739535 O\n0.188196 0.989535 0.008333 O\n0.244559 0.747753 0.948749 O\n0.744559 0.752246 0.051250 O\n0.752246 0.051250 0.744559 O\n0.239535 0.938196 0.741667 O\n0.997753 0.994559 0.801250 O\n0.198749 0.497753 0.505440 O\n0.448749 0.255440 0.252247 O\n0.551250 0.755440 0.247753 O\n0.755440 0.247753 0.551250 O\n0.010465 0.508333 0.311804 O\n0.948749 0.244559 0.747753 O\n0.260465 0.061804 0.241667 O\n0.747753 0.948749 0.244559 O\n0.510465 0.991667 0.688196 O\n0.508333 0.311804 0.010465 O\n0.811803 0.489535 0.491667 O\n0.008333 0.188196 0.989535 O\n0.698749 0.002247 0.494559 O\n0.760465 0.438196 0.758332 O\n0.438196 0.758332 0.760465 O\n0.688196 0.510465 0.991667 O\n0.247753 0.551250 0.755440 O\n0.002247 0.494559 0.698749 O\n0.311804 0.010465 0.508333 O\n0.491667 0.811803 0.489535 O\n0.252247 0.448749 0.255440 O\n0.061804 0.241667 0.260465 O\n0.989535 0.008333 0.188196 O\n0.051250 0.744559 0.752246 O\n0.505440 0.198749 0.497753 O\n0.991667 0.688196 0.510465 O\n0.741667 0.239535 0.938196 O\n0.494559 0.698749 0.002247 O\n0.739535 0.561803 0.258333 O\n0.502246 0.005440 0.301250 O\n0.938196 0.741667 0.239535 O\n0.005440 0.301250 0.502246 O\n0.301250 0.502246 0.005440 O\n0.758332 0.760465 0.438196 O\n0.255440 0.252247 0.448749 O\n0.801250 0.997753 0.994559 O\n0.497753 0.505440 0.198749 O\n0.994559 0.801250 0.997753 O\n0.241667 0.260465 0.061804 O\n0.239243 0.260756 0.739243 F\n0.510756 0.989243 0.010757 F\n0.010757 0.510756 0.989243 F\n0.489243 0.489243 0.489243 F\n0.260756 0.739243 0.239243 F\n0.739243 0.239243 0.260756 F\n0.989243 0.010757 0.510756 F\n0.760756 0.760756 0.760756 F\n","nsites":84,"nelements":4,"elements":["Ca","Nb","O","F"],"chemical_system":"Ca-F-Nb-O","density":4.06834580425725,"density_atomic":0.07127572152219276,"volume":1178.5219175065852,"volume_molar":8.44907723329734,"formula_full":"Ca12 Nb16 O48 F8","formula_reduced":"Ca3Nb4(O6F)2","formula_anonymous":"A2B3C4D12","energy_above_hull":2.826801496428572,"spacegroup":212},{"id":"jvasp-97409","created_at":"2022-09-04T14:35:45.676756Z","updated_at":"2022-09-04T14:35:45.676767Z","structure_string":"Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n","nsites":12,"nelements":4,"elements":["Rb","Ta","P","O"],"chemical_system":"O-P-Rb-Ta","density":4.068301285150456,"density_atomic":0.06442274174067342,"volume":186.2696258458646,"volume_molar":9.347849217969422,"formula_full":"Rb1 Ta1 P2 O8","formula_reduced":"RbTa(PO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.9377540166666667,"spacegroup":12},{"id":"jvasp-5230","created_at":"2022-09-04T14:36:41.459591Z","updated_at":"2022-09-04T14:36:41.459609Z","structure_string":"Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n","nsites":20,"nelements":2,"elements":["Sn","Br"],"chemical_system":"Br-Sn","density":4.0680735519200715,"density_atomic":0.027945537750626248,"volume":715.677765032516,"volume_molar":21.549561199140086,"formula_full":"Sn4 Br16","formula_reduced":"SnBr4","formula_anonymous":"AB4","energy_above_hull":0.0117636419999998,"spacegroup":14},{"id":"jvasp-100553","created_at":"2022-09-04T14:36:37.666915Z","updated_at":"2022-09-04T14:36:37.666942Z","structure_string":"Mg1 Cd1 C2 O6\n1.0\n4.393786 -0.013472 3.910715\n1.746425 4.031815 3.910715\n-0.020586 -0.013472 5.882059\nMg Cd C O\n1 1 2 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.244728 0.244728 0.244728 C\n0.755272 0.755274 0.755272 C\n0.963530 0.275023 0.496735 O\n0.275021 0.496736 0.963530 O\n0.496735 0.963531 0.275022 O\n0.036470 0.724979 0.503265 O\n0.724979 0.503266 0.036470 O\n0.503265 0.036471 0.724979 O\n","nsites":10,"nelements":4,"elements":["Mg","Cd","C","O"],"chemical_system":"C-Cd-Mg-O","density":4.067757481132811,"density_atomic":0.09541637344747883,"volume":104.80381551604891,"volume_molar":6.311433292227185,"formula_full":"Mg1 Cd1 C2 O6","formula_reduced":"MgCd(CO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.66586098,"spacegroup":148}]}