{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=527","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=525","results":[{"id":"jvasp-112693","created_at":"2022-09-04T14:38:43.375568Z","updated_at":"2022-09-04T14:38:43.375603Z","structure_string":"Ce1 Ho4 S7\n1.0\n6.560890 -0.001631 1.667977\n5.458732 3.639716 1.667977\n0.014111 0.004271 11.572100\nCe Ho S\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Ce\n0.112438 0.112438 0.576816 Ho\n0.887560 0.887563 0.423184 Ho\n0.300408 0.300409 0.809338 Ho\n0.699590 0.699592 0.190662 Ho\n0.261195 0.261195 0.353879 S\n0.738804 0.738806 0.646121 S\n0.665674 0.665675 0.945735 S\n0.334325 0.334326 0.054265 S\n0.956049 0.956051 0.778823 S\n0.043950 0.043950 0.221177 S\n0.499999 0.500001 0.500000 S\n","nsites":12,"nelements":3,"elements":["Ce","Ho","S"],"chemical_system":"Ce-Ho-S","density":6.154824588416232,"density_atomic":0.04342341040082102,"volume":276.348630594273,"volume_molar":13.868419602266288,"formula_full":"Ce1 Ho4 S7","formula_reduced":"CeHo4S7","formula_anonymous":"AB4C7","energy_above_hull":1.956231480555556,"spacegroup":12},{"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 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O\n","nsites":20,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.182504419310138,"density_atomic":0.1195448399213864,"volume":167.3012403810332,"volume_molar":5.03755809448589,"formula_full":"Li6 Mn4 O10","formula_reduced":"Li3Mn2O5","formula_anonymous":"A2B3C5","energy_above_hull":2.4975401982758623,"spacegroup":12},{"id":"jvasp-116803","created_at":"2022-09-04T14:38:43.280210Z","updated_at":"2022-09-04T14:38:43.280231Z","structure_string":"Y3 Fe6 O12\n1.0\n3.484973 -0.016000 -0.023158\n1.737489 3.020997 -0.023158\n-0.219191 -0.126122 24.238888\nY Fe O\n3 6 12\ndirect\n0.309088 0.309090 0.658302 Y\n0.000000 0.000000 0.000000 Y\n0.690911 0.690912 0.341698 Y\n0.373524 0.373525 0.462911 Fe\n0.675281 0.675282 0.123993 Fe\n0.324718 0.324719 0.876007 Fe\n0.015832 0.015832 0.217963 Fe\n-0.015832 -0.015831 0.782037 Fe\n0.626475 0.626476 0.537089 Fe\n0.010114 0.010114 0.130254 O\n0.669168 0.669170 0.043210 O\n0.977838 0.977840 0.700908 O\n0.681080 0.681082 0.212318 O\n0.290287 0.290288 0.537023 O\n0.022161 0.022162 0.299092 O\n0.318919 0.318920 0.787682 O\n0.330831 0.330832 0.956790 O\n0.639242 0.639244 0.614989 O\n-0.010114 -0.010114 0.869746 O\n0.709712 0.709714 0.462977 O\n0.360757 0.360758 0.385011 O\n","nsites":21,"nelements":3,"elements":["Y","Fe","O"],"chemical_system":"Fe-O-Y","density":5.152008954585647,"density_atomic":0.0820817227048214,"volume":255.84258356174195,"volume_molar":7.336762145766058,"formula_full":"Y3 Fe6 O12","formula_reduced":"Y(FeO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.8641972071428565,"spacegroup":12},{"id":"jvasp-111911","created_at":"2022-09-04T14:38:42.489695Z","updated_at":"2022-09-04T14:38:42.489729Z","structure_string":"Ba1 Mo1 P2 O8\n1.0\n4.923777 -0.004587 0.328327\n2.053014 4.475347 0.328327\n0.017726 0.011359 7.827700\nBa Mo P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mo\n0.369920 0.369920 0.290118 P\n0.630081 0.630080 0.709883 P\n0.285457 0.762146 0.687474 O\n0.686190 0.686189 0.890059 O\n0.714543 0.237854 0.312527 O\n0.235499 0.235498 0.438424 O\n0.764502 0.764502 0.561577 O\n0.237854 0.714543 0.312527 O\n0.313811 0.313811 0.109941 O\n0.762147 0.285457 0.687474 O\n","nsites":12,"nelements":4,"elements":["Ba","Mo","P","O"],"chemical_system":"Ba-Mo-O-P","density":4.073357105018789,"density_atomic":0.06955510273855543,"volume":172.5250848252751,"volume_molar":8.658086212072888,"formula_full":"Ba1 Mo1 P2 O8","formula_reduced":"BaMo(PO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.9423467391666667,"spacegroup":12},{"id":"jvasp-112676","created_at":"2022-09-04T14:38:42.637649Z","updated_at":"2022-09-04T14:38:42.637670Z","structure_string":"K4 Ba1 Nb5 O15\n1.0\n8.785292 0.000396 2.349109\n6.904177 5.432651 2.349109\n0.001511 0.000523 7.046322\nK Ba Nb O\n4 1 5 15\ndirect\n0.599807 0.599807 0.598402 K\n0.200691 0.200691 0.200546 K\n0.799309 0.799309 0.799454 K\n0.400192 0.400192 0.401598 K\n0.000000 0.000000 0.000000 Ba\n0.201426 0.201426 0.696618 Nb\n0.798574 0.798574 0.303383 Nb\n0.397948 0.397947 0.900327 Nb\n0.000000 -0.000000 0.500000 Nb\n0.602052 0.602053 0.099673 Nb\n0.702084 0.198345 0.702119 O\n0.099168 0.602583 0.099345 O\n0.500000 0.000000 0.500000 O\n0.700089 0.700090 0.200224 O\n0.099326 0.099325 0.602836 O\n0.500000 0.500000 0.000000 O\n0.602583 0.099168 0.099345 O\n0.299911 0.299910 0.799776 O\n0.801655 0.297916 0.297881 O\n0.198345 0.702084 0.702119 O\n0.297916 0.801655 0.297881 O\n0.000000 0.500000 0.500000 O\n0.397417 0.900832 0.900655 O\n0.900674 0.900675 0.397164 O\n0.900832 0.397416 0.900655 O\n","nsites":25,"nelements":4,"elements":["K","Ba","Nb","O"],"chemical_system":"Ba-K-Nb-O","density":4.929554676879178,"density_atomic":0.07434680028978347,"volume":336.2619494390727,"volume_molar":8.100067167016395,"formula_full":"K4 Ba1 Nb5 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4.583124\n-0.000927 -0.000926 9.202690\nCo Ni Sb\n2 2 12\ndirect\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 -0.000001 Ni\n0.500000 -0.000000 -0.000000 Ni\n0.668938 0.668937 0.489942 Sb\n0.331063 0.331063 0.510057 Sb\n0.662760 0.662760 0.178012 Sb\n0.337240 0.337240 0.821987 Sb\n0.161782 0.843365 0.663244 Sb\n0.838218 0.156635 0.336755 Sb\n0.843365 0.161781 0.663244 Sb\n0.156635 0.838218 0.336755 Sb\n0.825089 0.493115 0.838007 Sb\n0.174912 0.506885 0.161992 Sb\n0.506885 0.174912 0.161992 Sb\n0.493116 0.825088 0.838007 Sb\n","nsites":16,"nelements":3,"elements":["Co","Ni","Sb"],"chemical_system":"Co-Ni-Sb","density":7.2285556416106544,"density_atomic":0.041058304705053714,"volume":389.6897379211719,"volume_molar":14.667290340555043,"formula_full":"Co2 Ni2 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O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Co","O"],"chemical_system":"Co-Fe-Li-O","density":4.889728610592768,"density_atomic":0.11673603920402663,"volume":128.49502263635648,"volume_molar":5.158767421836833,"formula_full":"Li3 Fe2 Co2 O8","formula_reduced":"Li3Fe2(CoO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.7716640533333337,"spacegroup":12},{"id":"jvasp-112826","created_at":"2022-09-04T14:38:42.862799Z","updated_at":"2022-09-04T14:38:42.862827Z","structure_string":"Li4 Mn5 Fe1 O12\n1.0\n4.863325 -0.030179 0.199254\n-2.422810 4.216969 0.199254\n0.410347 0.703965 9.930422\nLi Mn Fe O\n4 5 1 12\ndirect\n0.915389 0.245384 0.241145 Li\n0.754615 0.084609 0.758854 Li\n0.245384 0.915390 0.241145 Li\n0.084610 0.754615 0.758854 Li\n0.833233 0.166766 0.500000 Mn\n0.336752 0.663248 -0.000000 Mn\n0.663247 0.336752 -0.000000 Mn\n0.166767 0.833233 0.499999 Mn\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Fe\n-0.029864 0.627184 0.107151 O\n0.706907 0.706907 0.890695 O\n0.372816 0.029863 0.892848 O\n0.199089 0.536367 0.391559 O\n0.873443 0.873443 0.391294 O\n0.029864 0.372815 0.892848 O\n0.463633 0.800910 0.608440 O\n0.800910 0.463632 0.608440 O\n0.627184 -0.029864 0.107151 O\n0.293092 0.293092 0.109304 O\n0.536367 0.199089 0.391559 O\n0.126556 0.126556 0.608705 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Fe","O"],"chemical_system":"Fe-Li-Mn-O","density":4.533486799452701,"density_atomic":0.10914723037926959,"volume":201.5626042324064,"volume_molar":5.5174471574532875,"formula_full":"Li4 Mn5 Fe1 O12","formula_reduced":"Li4Mn5FeO12","formula_anonymous":"AB4C5D12","energy_above_hull":3.1640697139498437,"spacegroup":12},{"id":"jvasp-114742","created_at":"2022-09-04T14:38:42.925373Z","updated_at":"2022-09-04T14:38:42.925397Z","structure_string":"Cd1 F2\n1.0\n3.663162 -0.190933 -0.508219\n1.294420 -3.506592 -0.359254\n0.899141 -0.843430 -3.298421\nCd F\n1 2\ndirect\n0.079340 0.077161 0.082943 Cd\n0.816378 0.812789 0.827951 F\n0.342318 0.341520 0.337921 F\n","nsites":3,"nelements":2,"elements":["Cd","F"],"chemical_system":"Cd-F","density":6.329731349307234,"density_atomic":0.07603036188888766,"volume":39.45792082884285,"volume_molar":7.920705110940916,"formula_full":"Cd1 F2","formula_reduced":"CdF2","formula_anonymous":"AB2","energy_above_hull":0.0190266666666666,"spacegroup":12},{"id":"jvasp-112659","created_at":"2022-09-04T14:38:43.041342Z","updated_at":"2022-09-04T14:38:43.041367Z","structure_string":"Na2 La2 Sc2 Nb2 O12\n1.0\n5.675018 -0.005735 0.017210\n-0.070645 5.674581 0.017210\n-0.014149 -0.014311 8.066239\nNa La Sc Nb O\n2 2 2 2 12\ndirect\n0.746940 0.253061 0.000000 Na\n0.253061 0.746939 0.000000 Na\n0.745760 0.254242 0.500000 La\n0.254241 0.745759 0.500000 La\n0.751789 0.751789 0.245465 Sc\n0.248212 0.248212 0.754535 Sc\n0.749118 0.749118 0.764808 Nb\n0.250883 0.250883 0.235192 Nb\n0.314801 0.314801 0.498744 O\n0.685200 0.685199 0.501257 O\n0.995111 0.995111 0.681090 O\n0.004890 0.004890 0.318911 O\n0.188206 0.188206 0.006409 O\n0.004035 0.492999 0.277688 O\n0.995966 0.507001 0.722312 O\n0.507001 0.995966 0.722312 O\n0.493700 0.493700 0.198132 O\n0.493000 0.004035 0.277688 O\n0.811795 0.811795 0.993591 O\n0.506301 0.506301 0.801868 O\n","nsites":20,"nelements":5,"elements":["Na","La","Sc","Nb","O"],"chemical_system":"La-Na-Nb-O-Sc","density":5.059795766637225,"density_atomic":0.0769943137027567,"volume":259.7594424597608,"volume_molar":7.821539631159001,"formula_full":"Na2 La2 Sc2 Nb2 O12","formula_reduced":"NaLaScNbO6","formula_anonymous":"ABCDE6","energy_above_hull":2.518603965,"spacegroup":12}]}