{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3444","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3442","results":[{"id":"jvasp-70873","created_at":"2022-09-04T14:35:46.955155Z","updated_at":"2022-09-04T14:35:46.955192Z","structure_string":"Mn2 Be1 Cl1\n1.0\n2.759821 0.000000 -0.000000\n0.000000 2.759821 -0.000000\n-0.000000 0.000000 7.171934\nMn Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.044260 Mn\n0.500000 0.500000 0.235832 Mn\n0.000000 0.000000 0.399671 Be\n0.500000 0.500000 0.820236 Cl\n","nsites":4,"nelements":3,"elements":["Mn","Be","Cl"],"chemical_system":"Be-Cl-Mn","density":4.691730508471738,"density_atomic":0.07322542097428678,"volume":54.625838223649225,"volume_molar":8.224112172895099,"formula_full":"Mn2 Be1 Cl1","formula_reduced":"Mn2BeCl","formula_anonymous":"ABC2","energy_above_hull":2.6510186625646552,"spacegroup":99},{"id":"jvasp-43121","created_at":"2022-09-04T14:36:51.096304Z","updated_at":"2022-09-04T14:36:51.096315Z","structure_string":"Li2 V1 Cr1 O4\n1.0\n5.215158 -0.091867 -0.000000\n2.199809 4.729393 0.000000\n-3.707483 -2.318764 2.843277\nLi V Cr O\n2 1 1 4\ndirect\n0.250001 0.750000 0.500001 Li\n0.500001 0.499999 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750001 0.250000 0.500001 Cr\n0.519220 0.019219 0.500001 O\n0.232530 0.232530 0.000000 O\n0.980782 0.480781 0.500001 O\n0.767471 0.767469 0.000000 O\n","nsites":8,"nelements":4,"elements":["Li","V","Cr","O"],"chemical_system":"Cr-Li-O-V","density":4.246712688680854,"density_atomic":0.11314986223590276,"volume":70.70269324165008,"volume_molar":5.322269635153969,"formula_full":"Li2 V1 Cr1 O4","formula_reduced":"Li2VCrO4","formula_anonymous":"ABC2D4","energy_above_hull":2.6510957,"spacegroup":119},{"id":"jvasp-99645","created_at":"2022-09-04T14:36:56.525562Z","updated_at":"2022-09-04T14:36:56.525578Z","structure_string":"Ba2 U1 Cr1 O6\n1.0\n5.114511 -0.000000 2.952864\n1.704837 4.822007 2.952864\n0.000000 -0.000000 5.905728\nBa U Cr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.499999 Cr\n0.741740 0.258260 0.258259 O\n0.258260 0.741741 0.741740 O\n0.258260 0.741741 0.258259 O\n0.741740 0.258260 0.741740 O\n0.258260 0.258260 0.741740 O\n0.741741 0.741741 0.258258 O\n","nsites":10,"nelements":4,"elements":["Ba","U","Cr","O"],"chemical_system":"Ba-Cr-O-U","density":7.53237348735292,"density_atomic":0.06865854658251495,"volume":145.6482914036323,"volume_molar":8.771145122861716,"formula_full":"Ba2 U1 Cr1 O6","formula_reduced":"Ba2UCrO6","formula_anonymous":"ABC2D6","energy_above_hull":2.651099634,"spacegroup":225},{"id":"jvasp-11473","created_at":"2022-09-04T14:38:05.317891Z","updated_at":"2022-09-04T14:38:05.317906Z","structure_string":"Ba1 V2 Ni2 O8\n1.0\n4.806778 0.020048 6.486796\n2.155878 4.296243 6.486796\n0.032340 0.020049 8.073573\nBa V Ni O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.574752 0.574751 0.574751 V\n0.425249 0.425249 0.425249 V\n0.830705 0.830704 0.830704 Ni\n0.169296 0.169296 0.169296 Ni\n0.437323 0.789141 0.118157 O\n0.789142 0.118157 0.437322 O\n0.118157 0.437322 0.789141 O\n0.562678 0.210859 0.881843 O\n0.210859 0.881843 0.562678 O\n0.350510 0.350510 0.350510 O\n0.649491 0.649490 0.649490 O\n0.881844 0.562678 0.210858 O\n","nsites":13,"nelements":4,"elements":["Ba","V","Ni","O"],"chemical_system":"Ba-Ni-O-V","density":4.8728184498695155,"density_atomic":0.07872238542347833,"volume":165.1372723281687,"volume_molar":7.649845374482192,"formula_full":"Ba1 V2 Ni2 O8","formula_reduced":"BaV2(NiO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.6511120900000003,"spacegroup":148},{"id":"jvasp-34243","created_at":"2022-09-04T14:36:46.053455Z","updated_at":"2022-09-04T14:36:46.053476Z","structure_string":"Sc1 Ta1 Pb2 O6\n1.0\n5.008785 0.000073 2.891597\n1.669535 4.722259 2.891821\n-0.000146 0.000170 5.783449\nSc Ta Pb O\n1 1 2 6\ndirect\n0.500002 0.499998 0.500001 Sc\n0.000000 -0.000001 0.000000 Ta\n0.250012 0.249986 0.250015 Pb\n0.750014 0.749984 0.750014 Pb\n0.244174 0.755824 0.755818 O\n0.755821 0.244182 0.244175 O\n0.755808 0.244196 0.755802 O\n0.244191 0.755809 0.244193 O\n0.244174 0.244196 0.755807 O\n0.755809 0.755822 0.244175 O\n","nsites":10,"nelements":4,"elements":["Sc","Ta","Pb","O"],"chemical_system":"O-Pb-Sc-Ta","density":8.937911052479631,"density_atomic":0.0731024642690749,"volume":136.79429414570882,"volume_molar":8.237944945103024,"formula_full":"Sc1 Ta1 Pb2 O6","formula_reduced":"ScTa(PbO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.6512737090000007,"spacegroup":225},{"id":"jvasp-9895","created_at":"2022-09-04T14:38:33.530261Z","updated_at":"2022-09-04T14:38:33.530278Z","structure_string":"Mg2 Fe1 W1 O6\n1.0\n5.163219 -0.011782 -0.005711\n-2.571347 4.477563 0.008696\n-2.579818 -1.490964 4.659351\nMg Fe W O\n2 1 1 6\ndirect\n0.428095 0.704553 0.134628 Mg\n0.428391 0.204695 0.635071 Mg\n-0.001281 0.489885 0.490562 Fe\n0.017310 -0.000823 0.018458 W\n0.192915 0.902702 0.822105 O\n0.918407 0.103990 0.305678 O\n0.548896 0.627201 0.822121 O\n0.917418 0.271234 0.822121 O\n0.199713 0.795468 0.305675 O\n0.508224 0.385275 0.305669 O\n","nsites":10,"nelements":4,"elements":["Mg","Fe","W","O"],"chemical_system":"Fe-Mg-O-W","density":5.933008548069766,"density_atomic":0.09297479105467017,"volume":107.55603628213473,"volume_molar":6.477175900786825,"formula_full":"Mg2 Fe1 W1 O6","formula_reduced":"Mg2FeWO6","formula_anonymous":"ABC2D6","energy_above_hull":2.65149846,"spacegroup":146},{"id":"jvasp-96924","created_at":"2022-09-04T14:36:16.262879Z","updated_at":"2022-09-04T14:36:16.262905Z","structure_string":"Na4 Ni2 H16 S4 O24\n1.0\n5.388453 0.000000 -0.915951\n0.000000 8.097132 0.000000\n-0.005379 0.000000 11.006291\nNa Ni H S O\n4 2 16 4 24\ndirect\n0.878946 0.924315 0.636495 Na\n0.121053 0.424315 0.863505 Na\n0.121053 0.075685 0.363505 Na\n0.878946 0.575685 0.136495 Na\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.769327 0.556741 0.679981 H\n0.769327 0.943259 0.179981 H\n0.230672 0.443259 0.320019 H\n0.215363 0.859425 0.842286 H\n0.784636 0.359425 0.657714 H\n0.784636 0.140575 0.157714 H\n0.674158 0.192487 0.862459 H\n0.325842 0.692487 0.637541 H\n0.230672 0.056741 0.820019 H\n0.674158 0.307513 0.362459 H\n0.325842 0.807513 0.137541 H\n0.235766 0.778096 0.510806 H\n0.764233 0.278096 0.989194 H\n0.215363 0.640575 0.342286 H\n0.764233 0.221904 0.489194 H\n0.235766 0.721904 0.010806 H\n0.619186 0.714383 0.863606 S\n0.380813 0.214384 0.636394 S\n0.380813 0.285616 0.136394 S\n0.619186 0.785616 0.363606 S\n0.353865 0.672469 0.870256 O\n0.637944 0.730368 0.729583 O\n0.362055 0.230368 0.770417 O\n0.362055 0.269632 0.270417 O\n0.637944 0.769632 0.229583 O\n0.785709 0.583684 0.920634 O\n0.214290 0.083684 0.579366 O\n0.214290 0.416316 0.079366 O\n0.785710 0.916316 0.420634 O\n0.673435 0.874983 0.927780 O\n0.326564 0.374983 0.572220 O\n0.173224 0.785324 0.076728 O\n0.826776 0.285324 0.423272 O\n0.826776 0.214676 0.923272 O\n0.173224 0.714676 0.576728 O\n0.117465 0.535625 0.334927 O\n0.882534 0.035625 0.165073 O\n0.882534 0.464375 0.665073 O\n0.117465 0.964375 0.834927 O\n0.353865 0.827530 0.370256 O\n0.326564 0.125017 0.072220 O\n0.646134 0.172469 0.629744 O\n0.673435 0.625017 0.427780 O\n0.646134 0.327531 0.129744 O\n","nsites":50,"nelements":5,"elements":["Na","Ni","H","S","O"],"chemical_system":"H-Na-Ni-O-S","density":2.551170902865753,"density_atomic":0.10412853906094965,"volume":480.1757563383604,"volume_molar":5.783371988418137,"formula_full":"Na4 Ni2 H16 S4 O24","formula_reduced":"Na2NiH8(SO6)2","formula_anonymous":"AB2C2D8E12","energy_above_hull":2.6515004960000006,"spacegroup":14},{"id":"jvasp-42308","created_at":"2022-09-04T14:35:57.247966Z","updated_at":"2022-09-04T14:35:57.247983Z","structure_string":"Li2 Co4 O7 F1\n1.0\n5.676525 -0.043210 -0.040545\n-2.786244 4.945775 0.040799\n-2.858036 -1.618659 4.671944\nLi Co O F\n2 4 7 1\ndirect\n0.496200 0.500352 -0.003447 Li\n0.751410 0.115732 0.867127 Li\n0.249185 0.885110 0.134293 Co\n0.985448 0.997038 0.492241 Co\n0.495183 0.506792 0.492234 Co\n0.007564 0.498286 0.505841 Co\n0.024326 0.262795 0.287135 O\n0.466047 0.709463 0.713736 O\n0.004266 0.247684 0.713711 O\n-0.000162 0.751714 0.282545 O\n0.523187 0.749361 0.272562 O\n0.530829 0.282712 0.282552 O\n0.980542 0.739918 0.720467 O\n0.485964 0.253033 0.738994 F\n","nsites":14,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":4.853245968594774,"density_atomic":0.10750587698223475,"volume":130.2254387666033,"volume_molar":5.601685162751756,"formula_full":"Li2 Co4 O7 F1","formula_reduced":"Li2Co4O7F","formula_anonymous":"AB2C4D7","energy_above_hull":2.651524170178571,"spacegroup":8},{"id":"jvasp-37569","created_at":"2022-09-04T14:38:03.105732Z","updated_at":"2022-09-04T14:38:03.105752Z","structure_string":"Tm1 Si3\n1.0\n4.136598 0.000000 0.000000\n0.000000 4.136598 0.000000\n-0.000000 0.000000 4.136598\nTm Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n","nsites":4,"nelements":2,"elements":["Tm","Si"],"chemical_system":"Si-Tm","density":5.939732835170765,"density_atomic":0.056510615610744226,"volume":70.78316094718829,"volume_molar":10.65665396654257,"formula_full":"Tm1 Si3","formula_reduced":"TmSi3","formula_anonymous":"AB3","energy_above_hull":2.6517050125,"spacegroup":221},{"id":"jvasp-35789","created_at":"2022-09-04T14:37:28.579435Z","updated_at":"2022-09-04T14:37:28.579454Z","structure_string":"Hf2 Cd1\n1.0\n3.072770 0.000000 0.000000\n0.000000 3.072770 0.000000\n-1.536385 -1.536385 6.847121\nHf Cd\n2 1\ndirect\n0.671804 0.671804 0.343608 Hf\n0.328197 0.328197 0.656392 Hf\n0.000000 0.000000 0.000000 Cd\n","nsites":3,"nelements":2,"elements":["Hf","Cd"],"chemical_system":"Cd-Hf","density":12.05634716076438,"density_atomic":0.04640375700341945,"volume":64.6499377147185,"volume_molar":12.977700834775586,"formula_full":"Hf2 Cd1","formula_reduced":"Hf2Cd","formula_anonymous":"AB2","energy_above_hull":2.6517452499999994,"spacegroup":139},{"id":"jvasp-106984","created_at":"2022-09-04T14:37:51.491371Z","updated_at":"2022-09-04T14:37:51.491402Z","structure_string":"Tc1 Pt1\n1.0\n2.776932 -0.000000 0.000000\n-1.388466 2.404894 0.000000\n-0.000000 0.000000 4.481396\nTc Pt\n1 1\ndirect\n0.666665 0.333333 -0.000000 Tc\n0.000000 0.000000 0.500000 Pt\n","nsites":2,"nelements":2,"elements":["Tc","Pt"],"chemical_system":"Pt-Tc","density":16.261728332392114,"density_atomic":0.06682754231031925,"volume":29.92778023637071,"volume_molar":9.011465260888526,"formula_full":"Tc1 Pt1","formula_reduced":"TcPt","formula_anonymous":"AB","energy_above_hull":2.651781449999999,"spacegroup":187},{"id":"jvasp-59701","created_at":"2022-09-04T14:38:33.512585Z","updated_at":"2022-09-04T14:38:33.512601Z","structure_string":"Si4 P8\n1.0\n5.783281 -0.000000 -0.000000\n0.000000 5.783281 0.000000\n0.000000 0.000000 5.783281\nSi P\n4 8\ndirect\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.608707 0.608707 0.608707 P\n0.891293 0.391293 0.108707 P\n0.108707 0.891293 0.391293 P\n0.391293 0.108707 0.891293 P\n0.608707 0.891293 0.108707 P\n0.891293 0.108707 0.608707 P\n0.108707 0.608707 0.891293 P\n0.391293 0.391293 0.391293 P\n","nsites":12,"nelements":2,"elements":["Si","P"],"chemical_system":"P-Si","density":3.0916337719565865,"density_atomic":0.06203808202485692,"volume":193.42957758094352,"volume_molar":9.707167861164852,"formula_full":"Si4 P8","formula_reduced":"SiP2","formula_anonymous":"AB2","energy_above_hull":2.6517832,"spacegroup":205}]}