{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4397","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4395","results":[{"id":"jvasp-111332","created_at":"2022-09-04T14:38:48.944292Z","updated_at":"2022-09-04T14:38:48.944320Z","structure_string":"U1 Cu1 Si2 Ni1\n1.0\n3.704578 -0.005686 -4.217141\n-0.530341 3.666425 -4.217141\n0.004930 0.005686 5.613212\nU Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.500000 Cu\n0.620556 0.620554 -0.000001 Si\n0.379444 0.379443 -0.000000 Si\n0.750000 0.249999 0.500000 Ni\n","nsites":5,"nelements":4,"elements":["U","Cu","Si","Ni"],"chemical_system":"Cu-Ni-Si-U","density":9.050902386398969,"density_atomic":0.06544267902416627,"volume":76.40274014689452,"volume_molar":9.202161112286037,"formula_full":"U1 Cu1 Si2 Ni1","formula_reduced":"UCuSi2Ni","formula_anonymous":"ABCD2","energy_above_hull":2.65190121,"spacegroup":119},{"id":"jvasp-117156","created_at":"2022-09-04T14:38:48.816973Z","updated_at":"2022-09-04T14:38:48.816991Z","structure_string":"Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n","nsites":28,"nelements":4,"elements":["Mn","Tl","O","F"],"chemical_system":"F-Mn-O-Tl","density":5.870262475716664,"density_atomic":0.07043857533280128,"volume":397.50945937944294,"volume_molar":8.549492563623243,"formula_full":"Mn4 Tl4 O4 F16","formula_reduced":"MnTlOF4","formula_anonymous":"ABCD4","energy_above_hull":0.6000934959113303,"spacegroup":12},{"id":"jvasp-112148","created_at":"2022-09-04T14:38:44.730817Z","updated_at":"2022-09-04T14:38:44.730843Z","structure_string":"Zr1 H6 C5 O4\n1.0\n3.995977 -0.024851 -0.473088\n-2.044410 4.253367 -0.380019\n-0.020042 0.097114 8.431485\nZr H C O\n1 6 5 4\ndirect\n0.030779 0.198888 0.288938 Zr\n0.441188 0.109381 0.015953 H\n0.846216 0.645340 0.954399 H\n0.595876 0.327567 0.596713 H\n0.816807 0.733510 0.676768 H\n0.335335 0.461201 0.763217 H\n0.897579 0.199930 0.803005 H\n0.043345 0.597467 0.488013 C\n0.867919 0.530425 0.638826 C\n0.266455 0.572289 0.091607 C\n0.064577 0.442289 0.783326 C\n0.120848 0.662254 0.936567 C\n0.556498 0.267953 0.273860 O\n0.079828 0.858538 0.441918 O\n0.355185 0.976479 0.910480 O\n0.591721 0.773189 0.153672 O\n","nsites":16,"nelements":4,"elements":["Zr","H","C","O"],"chemical_system":"C-H-O-Zr","density":2.5686515002869443,"density_atomic":0.11182786479841224,"volume":143.07704102946596,"volume_molar":5.385188003773371,"formula_full":"Zr1 H6 C5 O4","formula_reduced":"ZrH6C5O4","formula_anonymous":"AB4C5D6","energy_above_hull":4.607098656249999,"spacegroup":1},{"id":"jvasp-120601","created_at":"2022-09-04T14:38:51.592668Z","updated_at":"2022-09-04T14:38:51.592689Z","structure_string":"Li1 V4 O5 F7\n1.0\n5.009992 0.012329 -0.019900\n-0.276342 5.277519 -0.312218\n-0.025035 -0.053118 7.313621\nLi V O F\n1 4 5 7\ndirect\n0.514476 0.075100 0.194416 Li\n0.986494 0.969564 0.495691 V\n0.495631 0.520019 0.016573 V\n0.465415 0.487014 0.497106 V\n0.007173 0.006752 0.987778 V\n0.202606 0.293992 0.546325 O\n0.409193 0.506383 0.253769 O\n0.293314 0.210076 0.962054 O\n0.810697 0.696399 0.455850 O\n0.704277 0.812306 0.050561 O\n0.192950 0.696572 0.929624 F\n0.867873 0.020952 0.744033 F\n0.799988 0.307125 0.068557 F\n0.688362 0.182297 0.425070 F\n0.611499 0.497164 0.749909 F\n0.313510 0.807345 0.565900 F\n0.144982 0.984642 0.249496 F\n","nsites":17,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.639468158173515,"density_atomic":0.0879400364158167,"volume":193.31354287388513,"volume_molar":6.848008035299007,"formula_full":"Li1 V4 O5 F7","formula_reduced":"LiV4O5F7","formula_anonymous":"AB4C5D7","energy_above_hull":1.9851615457352945,"spacegroup":1},{"id":"jvasp-111213","created_at":"2022-09-04T14:38:48.910425Z","updated_at":"2022-09-04T14:38:48.910458Z","structure_string":"K2 Ga1 Ag1 I6\n1.0\n7.078445 -0.000000 4.086742\n2.359482 6.673622 4.086742\n-0.000000 -0.000000 8.173485\nK Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Ag\n0.754203 0.245798 0.245797 I\n0.245798 0.245798 0.754201 I\n0.245798 0.754202 0.754201 I\n0.245798 0.754202 0.245798 I\n0.754203 0.245798 0.754201 I\n0.754202 0.754202 0.245797 I\n","nsites":10,"nelements":4,"elements":["K","Ga","Ag","I"],"chemical_system":"Ag-Ga-I-K","density":4.374767276496669,"density_atomic":0.025899612355560927,"volume":386.1061649385224,"volume_molar":23.251856735635588,"formula_full":"K2 Ga1 Ag1 I6","formula_reduced":"K2GaAgI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-119619","created_at":"2022-09-04T14:38:48.899087Z","updated_at":"2022-09-04T14:38:48.899111Z","structure_string":"Ce2 Mn3 Cu9 As7\n1.0\n9.754776 0.000000 0.000000\n-4.877387 8.447884 0.000000\n-0.000000 -0.000000 3.872469\nCe Mn Cu As\n2 3 9 7\ndirect\n0.333333 0.666666 -0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.784010 0.254953 0.500000 Mn\n0.745046 0.529055 0.500000 Mn\n0.470945 0.215990 0.500000 Mn\n0.303456 0.368116 0.500000 Cu\n0.064662 0.696544 0.500000 Cu\n0.631883 0.935338 0.500000 Cu\n0.948458 0.485189 -0.000000 Cu\n0.514811 0.463267 -0.000000 Cu\n0.191169 0.895282 -0.000000 Cu\n0.704112 0.808830 -0.000000 Cu\n0.104718 0.295887 -0.000000 Cu\n0.536733 0.051542 -0.000000 Cu\n0.557674 0.636980 0.500000 As\n0.816610 0.100934 -0.000000 As\n0.899066 0.715674 -0.000000 As\n0.284325 0.183390 -0.000000 As\n0.363019 0.920693 0.500000 As\n0.079306 0.442326 0.500000 As\n0.666667 0.333333 -0.000000 As\n","nsites":21,"nelements":4,"elements":["Ce","Mn","Cu","As"],"chemical_system":"As-Ce-Cu-Mn","density":8.020740268624051,"density_atomic":0.0658060922582144,"volume":319.11938970025415,"volume_molar":9.151342304858211,"formula_full":"Ce2 Mn3 Cu9 As7","formula_reduced":"Ce2Mn3Cu9As7","formula_anonymous":"A2B3C7D9","energy_above_hull":1.7727880487684726,"spacegroup":174},{"id":"jvasp-111207","created_at":"2022-09-04T14:38:48.842481Z","updated_at":"2022-09-04T14:38:48.842504Z","structure_string":"K2 Sc1 Hg1 Cl6\n1.0\n6.517481 -0.000000 3.762869\n2.172494 6.144740 3.762869\n-0.000000 -0.000000 7.525739\nK Sc Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.767142 0.232858 0.232858 Cl\n0.232858 0.232858 0.767143 Cl\n0.232857 0.767142 0.767143 Cl\n0.232857 0.767142 0.232858 Cl\n0.767142 0.232858 0.767143 Cl\n0.767142 0.767142 0.232858 Cl\n","nsites":10,"nelements":4,"elements":["K","Sc","Hg","Cl"],"chemical_system":"Cl-Hg-K-Sc","density":2.9556596278450185,"density_atomic":0.033179326204876396,"volume":301.3924977937102,"volume_molar":18.15028045721712,"formula_full":"K2 Sc1 Hg1 Cl6","formula_reduced":"K2ScHgCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-117053","created_at":"2022-09-04T14:38:45.987667Z","updated_at":"2022-09-04T14:38:45.987717Z","structure_string":"Mg2 Al3 Cr1 S8\n1.0\n6.236646 0.000093 3.600822\n2.078715 5.909057 3.600770\n0.000023 0.000055 7.201671\nMg Al Cr S\n2 3 1 8\ndirect\n0.874277 0.877166 0.874281 Mg\n0.125723 0.122835 0.125718 Mg\n0.500001 0.500000 0.499999 Al\n0.499998 0.499999 0.000001 Al\n-0.000000 0.500000 0.499999 Al\n0.500001 0.999999 0.499999 Cr\n0.737714 0.738557 0.737708 S\n0.262287 0.261442 0.713977 S\n0.261743 0.714780 0.261738 S\n0.713977 0.261450 0.262286 S\n0.738256 0.285219 0.738262 S\n0.286024 0.738549 0.737713 S\n0.262288 0.261438 0.262296 S\n0.737712 0.738556 0.286025 S\n","nsites":14,"nelements":4,"elements":["Mg","Al","Cr","S"],"chemical_system":"Al-Cr-Mg-S","density":2.7409126556224246,"density_atomic":0.05275090465250165,"volume":265.39829207149086,"volume_molar":11.416184802272214,"formula_full":"Mg2 Al3 Cr1 S8","formula_reduced":"Mg2Al3CrS8","formula_anonymous":"AB2C3D8","energy_above_hull":1.9657431357142865,"spacegroup":166},{"id":"jvasp-108826","created_at":"2022-09-04T14:38:45.975187Z","updated_at":"2022-09-04T14:38:45.975211Z","structure_string":"La2 Fe2 Se2 O3\n1.0\n3.916025 -0.000178 0.831046\n-0.176164 3.912018 0.831059\n0.083591 0.087390 9.244169\nLa Fe Se O\n2 2 2 3\ndirect\n0.677941 0.677940 0.644345 La\n0.322059 0.322062 0.355672 La\n0.499997 -0.000005 -0.000005 Fe\n-0.000005 0.499997 -0.000005 Fe\n0.088306 0.088298 0.823450 Se\n0.911691 0.911700 0.176549 Se\n0.500003 0.500004 -0.000019 O\n0.250017 0.749988 0.500009 O\n0.749988 0.250019 0.500005 O\n","nsites":9,"nelements":4,"elements":["La","Fe","Se","O"],"chemical_system":"Fe-La-O-Se","density":7.009821871413767,"density_atomic":0.06380836300306329,"volume":141.04734201640514,"volume_molar":9.43785497162949,"formula_full":"La2 Fe2 Se2 O3","formula_reduced":"La2Fe2Se2O3","formula_anonymous":"A2B2C2D3","energy_above_hull":2.492137581481481,"spacegroup":139},{"id":"jvasp-117214","created_at":"2022-09-04T14:38:46.352358Z","updated_at":"2022-09-04T14:38:46.352370Z","structure_string":"Ho4 Fe2 Mo2 O14\n1.0\n6.209332 0.015311 3.525738\n2.130454 5.822419 3.545130\n0.130453 0.061667 7.150738\nHo Fe Mo O\n4 2 2 14\ndirect\n0.500000 -0.000000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n-0.000000 0.500000 0.000000 Ho\n0.499999 0.500000 0.500001 Ho\n0.500000 0.000000 0.500000 Fe\n-0.000001 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.173257 0.617855 0.178273 O\n0.823607 0.825828 0.384842 O\n0.384451 0.827452 0.820552 O\n0.826741 0.382146 0.821728 O\n0.608537 0.606919 0.119717 O\n0.117367 0.602563 0.605933 O\n0.394804 0.881142 0.393411 O\n0.391462 0.393082 0.880284 O\n0.882631 0.397437 0.394068 O\n0.615548 0.172549 0.179449 O\n0.886258 0.884533 0.888190 O\n0.113740 0.115468 0.111811 O\n0.605194 0.118858 0.606590 O\n0.176391 0.174172 0.615159 O\n","nsites":22,"nelements":4,"elements":["Ho","Fe","Mo","O"],"chemical_system":"Fe-Ho-Mo-O","density":7.739847858727951,"density_atomic":0.08636778896464352,"volume":254.72459424666022,"volume_molar":6.9726698253967,"formula_full":"Ho4 Fe2 Mo2 O14","formula_reduced":"Ho2FeMoO7","formula_anonymous":"ABC2D7","energy_above_hull":2.960692457575757,"spacegroup":12},{"id":"jvasp-113189","created_at":"2022-09-04T14:38:46.218958Z","updated_at":"2022-09-04T14:38:46.218989Z","structure_string":"K4 Sr4 V4 O16\n1.0\n5.850017 -0.000000 0.000000\n0.000000 7.462465 0.000000\n-0.000000 -0.000000 9.967952\nK Sr V O\n4 4 4 16\ndirect\n0.484735 0.093534 0.577954 K\n0.515265 0.593534 0.922045 K\n0.015265 0.906465 0.077955 K\n0.984736 0.406465 0.422045 K\n0.978445 0.248897 0.801900 Sr\n0.478445 0.251103 0.198100 Sr\n0.521556 0.751103 0.301900 Sr\n0.021556 0.748896 0.698100 Sr\n0.514874 0.024572 0.915747 V\n0.985127 0.975428 0.415747 V\n0.014874 0.475428 0.084253 V\n0.485127 0.524572 0.584253 V\n0.431363 0.749365 0.563396 O\n0.239358 0.016977 0.330823 O\n0.492821 0.427698 0.425919 O\n0.007179 0.572302 0.925918 O\n0.756280 0.058628 0.325636 O\n0.992821 0.072302 0.574081 O\n0.260643 0.983022 0.830822 O\n0.243721 0.558628 0.174364 O\n0.568637 0.249365 0.936604 O\n0.743721 0.941371 0.825636 O\n0.068637 0.250635 0.063396 O\n0.256279 0.441371 0.674364 O\n0.739358 0.483022 0.669177 O\n0.507180 0.927697 0.074081 O\n0.760643 0.516977 0.169177 O\n0.931364 0.750634 0.436604 O\n","nsites":28,"nelements":4,"elements":["K","Sr","V","O"],"chemical_system":"K-O-Sr-V","density":3.6886191276827214,"density_atomic":0.06434468186460321,"volume":435.1563981452077,"volume_molar":9.359189579446586,"formula_full":"K4 Sr4 V4 O16","formula_reduced":"KSrVO4","formula_anonymous":"ABCD4","energy_above_hull":1.6276717871428574,"spacegroup":19},{"id":"jvasp-122112","created_at":"2022-09-04T14:38:55.382927Z","updated_at":"2022-09-04T14:38:55.382954Z","structure_string":"Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n","nsites":13,"nelements":4,"elements":["Na","Sm","Si","Se"],"chemical_system":"Na-Se-Si-Sm","density":4.40429442360694,"density_atomic":0.038327575499468754,"volume":339.181381305483,"volume_molar":15.7122924722527,"formula_full":"Na3 Sm2 Si2 Se6","formula_reduced":"Na3Sm2(SiSe3)2","formula_anonymous":"A2B2C3D6","energy_above_hull":null,"spacegroup":12}]}