{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=618","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=616","results":[{"id":"jvasp-117869","created_at":"2022-09-04T14:38:48.630501Z","updated_at":"2022-09-04T14:38:48.630526Z","structure_string":"Pb2 Br1\n1.0\n5.482973 0.000000 0.000000\n0.000000 3.378082 0.000000\n0.000000 0.000000 6.448862\nPb Br\n2 1\ndirect\n-0.033334 0.000000 0.756386 Pb\n-0.033334 0.000000 0.243613 Pb\n0.466668 0.000000 0.000000 Br\n","nsites":3,"nelements":2,"elements":["Pb","Br"],"chemical_system":"Br-Pb","density":6.871852737207793,"density_atomic":0.025116081083558575,"volume":119.44538600665103,"volume_molar":23.9772309221529,"formula_full":"Pb2 Br1","formula_reduced":"Pb2Br","formula_anonymous":"AB2","energy_above_hull":0.2464970766666667,"spacegroup":47},{"id":"jvasp-113639","created_at":"2022-09-04T14:38:46.284937Z","updated_at":"2022-09-04T14:38:46.284957Z","structure_string":"Hg1 I1\n1.0\n4.625549 0.288706 0.042986\n-2.205856 -4.053182 0.386697\n1.481264 -2.176785 -3.815865\nHg I\n1 1\ndirect\n0.979304 0.977440 0.010730 Hg\n0.979247 0.477460 0.510802 I\n","nsites":2,"nelements":2,"elements":["Hg","I"],"chemical_system":"Hg-I","density":7.385421102258445,"density_atomic":0.027161402429204184,"volume":73.63390035595445,"volume_molar":22.171685632568586,"formula_full":"Hg1 I1","formula_reduced":"HgI","formula_anonymous":"AB","energy_above_hull":0.23977,"spacegroup":71},{"id":"jvasp-113117","created_at":"2022-09-04T14:38:44.628210Z","updated_at":"2022-09-04T14:38:44.628232Z","structure_string":"Bi8 O10\n1.0\n7.944347 0.071019 0.733977\n-0.683026 7.915249 0.733977\n0.153233 0.168531 5.459885\nBi O\n8 10\ndirect\n0.727992 0.060201 0.758826 Bi\n0.742524 0.548773 0.775259 Bi\n0.215660 -0.032954 0.744460 Bi\n0.270120 0.461450 0.741746 Bi\n0.461450 0.270121 0.241745 Bi\n-0.032954 0.215660 0.244460 Bi\n0.548773 0.742524 0.275258 Bi\n0.060201 0.727992 0.258825 Bi\n0.200640 0.350474 0.407830 O\n0.350474 0.200640 0.907830 O\n0.283529 0.726528 0.517232 O\n0.803412 0.672711 0.097922 O\n0.525223 0.483986 0.509133 O\n0.049416 0.969311 0.414602 O\n0.969311 0.049416 0.914603 O\n0.726528 0.283530 0.017231 O\n0.483986 0.525223 0.009133 O\n0.672711 0.803412 0.597923 O\n","nsites":18,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":8.903604559254115,"density_atomic":0.05268686971873045,"volume":341.6410976035061,"volume_molar":11.430059884273405,"formula_full":"Bi8 O10","formula_reduced":"Bi4O5","formula_anonymous":"A4B5","energy_above_hull":1.9335771888888889,"spacegroup":9},{"id":"jvasp-120379","created_at":"2022-09-04T14:38:48.721954Z","updated_at":"2022-09-04T14:38:48.721981Z","structure_string":"As1 P2\n1.0\n5.367928 0.000000 0.000000\n0.000000 2.755737 0.000000\n0.000000 0.000000 5.530744\nAs P\n1 2\ndirect\n0.391188 0.000000 0.000000 As\n0.004406 0.000000 0.801045 P\n0.004406 0.000000 0.198953 P\n","nsites":3,"nelements":2,"elements":["As","P"],"chemical_system":"As-P","density":2.7779637796642738,"density_atomic":0.03666850877141838,"volume":81.81407154300146,"volume_molar":16.42319516602217,"formula_full":"As1 P2","formula_reduced":"AsP2","formula_anonymous":"AB2","energy_above_hull":2.562230916666667,"spacegroup":25},{"id":"jvasp-120318","created_at":"2022-09-04T14:38:47.679610Z","updated_at":"2022-09-04T14:38:47.679644Z","structure_string":"Mg1 Br1\n1.0\n3.637005 0.868648 0.167850\n-1.054260 -3.552944 -0.450561\n0.572731 -1.512125 -4.921911\nMg Br\n1 1\ndirect\n0.127939 0.980666 0.936962 Mg\n0.916999 0.562270 0.563130 Br\n","nsites":2,"nelements":2,"elements":["Mg","Br"],"chemical_system":"Br-Mg","density":3.035791641817086,"density_atomic":0.03508711261286808,"volume":57.000985577436964,"volume_molar":17.16339793030276,"formula_full":"Mg1 Br1","formula_reduced":"MgBr","formula_anonymous":"AB","energy_above_hull":0.12956,"spacegroup":160},{"id":"jvasp-116311","created_at":"2022-09-04T14:38:41.898365Z","updated_at":"2022-09-04T14:38:41.898396Z","structure_string":"Li1 Se2\n1.0\n5.045032 -0.000000 -0.000000\n-2.522516 4.369126 -0.000000\n-0.000000 -0.000000 2.864665\nLi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 Se\n0.666665 0.333333 0.000000 Se\n","nsites":3,"nelements":2,"elements":["Li","Se"],"chemical_system":"Li-Se","density":4.335455078664312,"density_atomic":0.047510425300215285,"volume":63.14403588356019,"volume_molar":12.675409074843015,"formula_full":"Li1 Se2","formula_reduced":"LiSe2","formula_anonymous":"AB2","energy_above_hull":0.9558022444444446,"spacegroup":191},{"id":"jvasp-113065","created_at":"2022-09-04T14:38:46.489454Z","updated_at":"2022-09-04T14:38:46.489471Z","structure_string":"Pr5 S8\n1.0\n7.267070 -0.000000 4.195645\n2.422357 6.851459 4.195645\n-0.000000 -0.000000 8.391289\nPr S\n5 8\ndirect\n0.613014 0.128996 0.128995 Pr\n0.128996 0.613014 0.128995 Pr\n0.128996 0.128996 0.613013 Pr\n0.128996 0.128996 0.128995 Pr\n0.750000 0.750000 0.749999 Pr\n0.349329 0.883557 0.883556 S\n0.883557 0.349329 0.883556 S\n0.883558 0.883557 0.349327 S\n0.883558 0.883557 0.883556 S\n0.903179 0.365607 0.365606 S\n0.365607 0.903179 0.365606 S\n0.365607 0.365607 0.903179 S\n0.365607 0.365607 0.365607 S\n","nsites":13,"nelements":2,"elements":["Pr","S"],"chemical_system":"Pr-S","density":3.819686530670864,"density_atomic":0.03111517636016632,"volume":417.80254913298876,"volume_molar":19.3543520058898,"formula_full":"Pr5 S8","formula_reduced":"Pr5S8","formula_anonymous":"A5B8","energy_above_hull":2.087370711538462,"spacegroup":216},{"id":"jvasp-115184","created_at":"2022-09-04T14:38:44.632039Z","updated_at":"2022-09-04T14:38:44.632065Z","structure_string":"Li1 B1\n1.0\n4.509572 -0.073500 0.895777\n-1.935771 -2.193329 0.018454\n1.252763 0.825774 -1.477241\nLi B\n1 1\ndirect\n0.009903 0.905253 0.826822 Li\n0.509923 0.905202 0.826697 B\n","nsites":2,"nelements":2,"elements":["Li","B"],"chemical_system":"B-Li","density":1.8679884442837715,"density_atomic":0.12673827572575266,"volume":15.78055239072192,"volume_molar":4.751635388374097,"formula_full":"Li1 B1","formula_reduced":"LiB","formula_anonymous":"AB","energy_above_hull":1.9749862916666667,"spacegroup":123},{"id":"jvasp-117170","created_at":"2022-09-04T14:38:48.797715Z","updated_at":"2022-09-04T14:38:48.797724Z","structure_string":"Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n","nsites":29,"nelements":2,"elements":["Yb","Mn"],"chemical_system":"Mn-Yb","density":8.872746840113457,"density_atomic":0.09054813412463526,"volume":320.27164646024465,"volume_molar":6.650761849726031,"formula_full":"Yb1 Mn28","formula_reduced":"YbMn28","formula_anonymous":"AB28","energy_above_hull":5.224571153745541,"spacegroup":217},{"id":"jvasp-118749","created_at":"2022-09-04T14:38:47.285890Z","updated_at":"2022-09-04T14:38:47.285918Z","structure_string":"Mo1 Br2\n1.0\n4.906902 -0.386595 -0.037976\n4.243017 -5.217706 -0.663394\n-1.159050 -0.550283 -3.001883\nMo Br\n1 2\ndirect\n0.083711 0.858568 0.035542 Mo\n0.752181 0.280115 0.370851 Br\n0.752273 0.768870 0.368655 Br\n","nsites":3,"nelements":2,"elements":["Mo","Br"],"chemical_system":"Br-Mo","density":6.052821971726439,"density_atomic":0.04275804219961136,"volume":70.16223956173718,"volume_molar":14.0842294225874,"formula_full":"Mo1 Br2","formula_reduced":"MoBr2","formula_anonymous":"AB2","energy_above_hull":1.760468036666667,"spacegroup":44},{"id":"jvasp-114568","created_at":"2022-09-04T14:38:42.323206Z","updated_at":"2022-09-04T14:38:42.323230Z","structure_string":"Ba1 F3\n1.0\n4.283592 0.111038 1.676146\n-2.022143 -3.597652 -0.710212\n-2.567933 -2.287573 -4.942035\nBa F\n1 3\ndirect\n0.624271 0.500136 0.750507 Ba\n0.165937 0.041679 0.023123 F\n0.624192 0.500093 0.250513 F\n0.082491 -0.041479 0.477852 F\n","nsites":4,"nelements":2,"elements":["Ba","F"],"chemical_system":"Ba-F","density":5.328005529291224,"density_atomic":0.06604700377704699,"volume":60.56292899376159,"volume_molar":9.117962080957938,"formula_full":"Ba1 F3","formula_reduced":"BaF3","formula_anonymous":"AB3","energy_above_hull":0.194735070625,"spacegroup":12},{"id":"jvasp-118751","created_at":"2022-09-04T14:38:47.290352Z","updated_at":"2022-09-04T14:38:47.290371Z","structure_string":"Mo2 Br2\n1.0\n4.595087 -0.390095 0.096238\n-1.709396 -3.138946 0.012800\n-0.443052 3.233339 -7.222891\nMo Br\n2 2\ndirect\n0.877457 -0.037729 0.844405 Mo\n0.533235 0.284844 0.844240 Mo\n0.051760 0.815824 0.537695 Br\n0.358949 0.431350 0.150960 Br\n","nsites":4,"nelements":2,"elements":["Mo","Br"],"chemical_system":"Br-Mo","density":5.400143485672216,"density_atomic":0.036987812158678704,"volume":108.14373077379902,"volume_molar":16.281419225784035,"formula_full":"Mo2 Br2","formula_reduced":"MoBr","formula_anonymous":"AB","energy_above_hull":2.0129900025,"spacegroup":12}]}