{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3454","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=3452","results":[{"id":"jvasp-8234","created_at":"2022-09-04T14:36:35.535323Z","updated_at":"2022-09-04T14:36:35.535338Z","structure_string":"Ca1 Fe2 O4\n1.0\n3.289946 0.000000 0.000000\n0.000000 5.211304 -0.000164\n0.000000 -0.000164 5.211304\nCa Fe O\n1 2 4\ndirect\n0.500149 0.500001 0.000000 Ca\n0.000149 0.000000 0.000000 Fe\n0.000149 0.500001 0.500001 Fe\n0.999148 0.741876 0.241878 O\n0.001155 0.258116 0.241884 O\n0.001155 0.741885 0.758115 O\n0.999148 0.258122 0.758123 O\n","nsites":7,"nelements":3,"elements":["Ca","Fe","O"],"chemical_system":"Ca-Fe-O","density":4.010049345428851,"density_atomic":0.07834593250613012,"volume":89.34733145785572,"volume_molar":7.686602950994045,"formula_full":"Ca1 Fe2 O4","formula_reduced":"Ca(FeO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.376097917142857,"spacegroup":123},{"id":"jvasp-119218","created_at":"2022-09-04T14:38:36.609750Z","updated_at":"2022-09-04T14:38:36.609767Z","structure_string":"As8 Se4 S8\n1.0\n9.502182 0.000000 0.000000\n-0.000000 4.258737 1.163697\n-0.000000 0.408257 12.101764\nAs Se S\n8 4 8\ndirect\n0.368860 0.443257 0.275433 As\n0.131140 0.443257 0.775433 As\n0.631139 0.556745 0.724567 As\n0.868860 0.556744 0.224567 As\n0.172995 0.798347 0.013825 As\n0.327005 0.798347 0.513825 As\n0.827005 0.201654 -0.013825 As\n0.672995 0.201654 0.486175 As\n0.583381 0.685590 0.336835 Se\n0.916619 0.685590 0.836835 Se\n0.416619 0.314412 0.663164 Se\n0.083381 0.314412 0.163165 Se\n0.200972 0.563330 0.398647 S\n0.299028 0.563330 0.898647 S\n0.799027 0.436672 0.601353 S\n0.700972 0.436671 0.101353 S\n0.371620 0.878946 0.114723 S\n0.128380 0.878946 0.614723 S\n0.628380 0.121055 0.885277 S\n0.871620 0.121055 0.385277 S\n","nsites":20,"nelements":3,"elements":["As","Se","S"],"chemical_system":"As-S-Se","density":4.010022416731133,"density_atomic":0.04121915756332095,"volume":485.2112751037175,"volume_molar":14.610052985068354,"formula_full":"As8 Se4 S8","formula_reduced":"As2SeS2","formula_anonymous":"AB2C2","energy_above_hull":2.060881373333333,"spacegroup":14},{"id":"jvasp-68320","created_at":"2022-09-04T14:36:12.706815Z","updated_at":"2022-09-04T14:36:12.706828Z","structure_string":"Sc2 Be1 Ge1\n1.0\n-1.937141 1.937141 4.733117\n1.937141 -1.937141 4.733117\n1.937141 1.937141 -4.733117\nSc Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Ge\n","nsites":4,"nelements":3,"elements":["Sc","Be","Ge"],"chemical_system":"Be-Ge-Sc","density":4.01001113080811,"density_atomic":0.05630283892354096,"volume":71.0443749636139,"volume_molar":10.695980655927572,"formula_full":"Sc2 Be1 Ge1","formula_reduced":"Sc2BeGe","formula_anonymous":"ABC2","energy_above_hull":1.8940481375,"spacegroup":119},{"id":"jvasp-120407","created_at":"2022-09-04T14:38:53.383374Z","updated_at":"2022-09-04T14:38:53.383404Z","structure_string":"Ga2 As2 O8\n1.0\n4.920029 0.110709 0.000000\n-0.158645 4.918716 0.000000\n-0.000000 -0.000000 7.136237\nGa As O\n2 2 8\ndirect\n0.834673 0.834675 0.500000 Ga\n0.165326 0.165326 -0.000000 Ga\n0.660801 0.339200 0.250000 As\n0.339199 0.660801 0.750000 As\n0.778450 0.202283 0.456196 O\n0.797717 0.221550 0.043804 O\n0.221549 0.797718 0.956197 O\n0.202282 0.778451 0.543804 O\n0.318013 0.277949 0.225613 O\n0.722051 0.681987 0.274388 O\n0.681986 0.722052 0.725613 O\n0.277948 0.318014 0.774388 O\n","nsites":12,"nelements":3,"elements":["Ga","As","O"],"chemical_system":"As-Ga-O","density":4.009382536337318,"density_atomic":0.0694348487588412,"volume":172.82388043614813,"volume_molar":8.67308112229912,"formula_full":"Ga2 As2 O8","formula_reduced":"GaAsO4","formula_anonymous":"ABC4","energy_above_hull":1.8757713458333332,"spacegroup":20},{"id":"jvasp-91913","created_at":"2022-09-04T14:36:21.682869Z","updated_at":"2022-09-04T14:36:21.682888Z","structure_string":"Mg3 Mn1 O4\n1.0\n4.299160 0.000000 0.000000\n0.000000 4.299160 -0.000000\n-0.000000 0.000000 4.299160\nMg Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":8,"nelements":3,"elements":["Mg","Mn","O"],"chemical_system":"Mg-Mn-O","density":4.009235211957655,"density_atomic":0.10067906227660021,"volume":79.46041430164728,"volume_molar":5.981522497155463,"formula_full":"Mg3 Mn1 O4","formula_reduced":"Mg3MnO4","formula_anonymous":"AB3C4","energy_above_hull":1.3293297989224135,"spacegroup":221},{"id":"jvasp-7136","created_at":"2022-09-04T14:38:33.442199Z","updated_at":"2022-09-04T14:38:33.442220Z","structure_string":"H5 Pb1 C1 I3 N2\n1.0\n6.485829 0.000000 -0.000000\n0.000001 6.309774 -0.000000\n0.000000 -0.000000 6.406172\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702377 0.500000 H\n0.809213 0.525516 0.500000 H\n0.697814 0.272378 0.500000 H\n0.302186 0.272378 0.500000 H\n0.190787 0.525516 0.500000 H\n-0.000000 0.945151 0.000000 Pb\n0.500001 0.529021 0.500000 C\n0.500000 0.958176 0.000000 I\n-0.000000 0.444192 0.000000 I\n-0.000000 0.926661 0.500000 I\n0.679605 0.433572 0.500000 N\n0.320393 0.433572 0.500000 N\n","nsites":12,"nelements":5,"elements":["H","Pb","C","I","N"],"chemical_system":"C-H-I-N-Pb","density":4.009214366087165,"density_atomic":0.04577236502641492,"volume":262.1669208719034,"volume_molar":13.156717500886536,"formula_full":"H5 Pb1 C1 I3 N2","formula_reduced":"H5PbCI3N2","formula_anonymous":"ABC2D3E5","energy_above_hull":2.8686113454166664,"spacegroup":25},{"id":"jvasp-117249","created_at":"2022-09-04T14:38:49.346524Z","updated_at":"2022-09-04T14:38:49.346547Z","structure_string":"Ti4 V4 O16\n1.0\n3.777789 0.007622 -0.000556\n-0.038546 18.907588 0.003602\n0.000564 -0.000728 3.776186\nTi V O\n4 4 16\ndirect\n-0.000062 0.374967 0.499999 Ti\n0.500001 0.624965 0.000003 Ti\n0.000057 0.874968 0.499999 Ti\n0.500106 0.124967 -0.000001 Ti\n0.999955 0.500021 -0.000003 V\n0.500003 0.750020 0.500002 V\n0.000046 0.000023 0.999997 V\n0.499853 0.250020 0.499997 V\n0.499926 0.353139 0.500002 O\n0.000080 0.103138 0.000001 O\n-0.000075 0.396860 -0.000001 O\n0.500064 0.146863 0.500000 O\n0.000052 0.896862 -0.000003 O\n0.500020 0.646862 0.500002 O\n0.500072 0.018325 0.999998 O\n0.499895 0.231689 1.000000 O\n0.499967 0.518323 -0.000000 O\n-0.000092 0.268324 0.500001 O\n-0.000000 0.603137 0.000003 O\n0.000086 0.981689 0.499998 O\n0.500004 0.731689 0.000001 O\n-0.000042 0.481687 0.500000 O\n0.000013 0.768325 0.500001 O\n0.500049 0.853137 0.499999 O\n","nsites":24,"nelements":3,"elements":["Ti","V","O"],"chemical_system":"O-Ti-V","density":4.009135586469747,"density_atomic":0.08897791484221836,"volume":269.7298542290907,"volume_molar":6.768129788924438,"formula_full":"Ti4 V4 O16","formula_reduced":"TiVO4","formula_anonymous":"ABC4","energy_above_hull":2.8198910888888893,"spacegroup":119},{"id":"jvasp-99685","created_at":"2022-09-04T14:36:37.069783Z","updated_at":"2022-09-04T14:36:37.069813Z","structure_string":"Na1 Li2 Ir1 F6\n1.0\n5.072632 0.000000 2.928685\n1.690877 4.782522 2.928685\n0.000000 0.000000 5.857370\nNa Li Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.000000 0.000000 0.000000 Ir\n0.243055 0.243055 0.756946 F\n0.243055 0.756945 0.756946 F\n0.756945 0.756945 0.243056 F\n0.243055 0.756945 0.243056 F\n0.756945 0.243055 0.756946 F\n0.756945 0.243055 0.243056 F\n","nsites":10,"nelements":4,"elements":["Na","Li","Ir","F"],"chemical_system":"F-Ir-Li-Na","density":4.009133144185674,"density_atomic":0.0703731527265708,"volume":142.09964471613475,"volume_molar":8.557440624265537,"formula_full":"Na1 Li2 Ir1 F6","formula_reduced":"NaLi2IrF6","formula_anonymous":"ABC2D6","energy_above_hull":0.3162301794999999,"spacegroup":225},{"id":"jvasp-7109","created_at":"2022-09-04T14:38:32.360248Z","updated_at":"2022-09-04T14:38:32.360274Z","structure_string":"H5 Pb1 C1 I3 N2\n1.0\n6.486825 0.000000 -0.000000\n0.000001 6.309788 -0.000000\n-0.000000 0.000000 6.405316\nH Pb C I N\n5 1 1 3 2\ndirect\n0.500000 0.702262 0.500000 H\n0.809197 0.525307 0.500000 H\n0.697727 0.272228 0.500000 H\n0.302274 0.272228 0.500000 H\n0.190804 0.525307 0.500000 H\n-0.000000 0.945495 0.000000 Pb\n0.500001 0.528902 0.500000 C\n0.500000 0.958708 0.000000 I\n-0.000000 0.444545 0.000000 I\n-0.000000 0.926676 0.500000 I\n0.679569 0.433430 0.500000 N\n0.320430 0.433430 0.500000 N\n","nsites":12,"nelements":5,"elements":["H","Pb","C","I","N"],"chemical_system":"C-H-I-N-Pb","density":4.009125593096728,"density_atomic":0.045771351523680545,"volume":262.17272596356713,"volume_molar":13.1570088265459,"formula_full":"H5 Pb1 C1 I3 N2","formula_reduced":"H5PbCI3N2","formula_anonymous":"ABC2D3E5","energy_above_hull":2.8686113454166664,"spacegroup":25},{"id":"jvasp-67253","created_at":"2022-09-04T14:35:49.591462Z","updated_at":"2022-09-04T14:35:49.591476Z","structure_string":"Be1 Ga1 P1\n1.0\n-1.408620 1.408620 5.725274\n1.408620 -1.408620 5.725274\n1.408620 1.408620 -5.725274\nBe Ga P\n1 1 1\ndirect\n0.019527 0.019527 0.000000 Be\n0.357084 0.357084 0.000000 Ga\n0.623389 0.623389 0.000000 P\n","nsites":3,"nelements":3,"elements":["Be","Ga","P"],"chemical_system":"Be-Ga-P","density":4.00910254026987,"density_atomic":0.06602026857661349,"volume":45.44059066525362,"volume_molar":9.121654440123313,"formula_full":"Be1 Ga1 P1","formula_reduced":"BeGaP","formula_anonymous":"ABC","energy_above_hull":1.406727975,"spacegroup":107},{"id":"jvasp-30515","created_at":"2022-09-04T14:37:12.918203Z","updated_at":"2022-09-04T14:37:12.918243Z","structure_string":"K2 Ag2 O4\n1.0\n1.372063 3.816990 -0.000000\n0.000000 -0.000000 5.977440\n6.440281 -0.159939 0.000000\nK Ag O\n2 2 4\ndirect\n0.289195 0.250000 0.421610 K\n0.710805 0.750000 0.578389 K\n0.003331 0.250000 0.993337 Ag\n0.996668 0.750000 0.006663 Ag\n0.110778 0.993481 0.778444 O\n0.889222 0.493481 0.221555 O\n0.110778 0.506519 0.778444 O\n0.889222 0.006519 0.221555 O\n","nsites":8,"nelements":3,"elements":["K","Ag","O"],"chemical_system":"Ag-K-O","density":4.009102345443494,"density_atomic":0.0539621449607277,"volume":148.25207570644568,"volume_molar":11.159935848329903,"formula_full":"K2 Ag2 O4","formula_reduced":"KAgO2","formula_anonymous":"ABC2","energy_above_hull":0.6959405649999999,"spacegroup":63},{"id":"jvasp-110378","created_at":"2022-09-04T14:38:38.417425Z","updated_at":"2022-09-04T14:38:38.417453Z","structure_string":"Rb2 Na1 Sc1 I6\n1.0\n7.246852 0.000000 4.183972\n2.415617 6.832397 4.183972\n0.000000 0.000000 8.367944\nRb Na Sc I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sc\n0.757926 0.242074 0.242073 I\n0.242074 0.242074 0.757926 I\n0.242074 0.757927 0.757926 I\n0.242074 0.757927 0.242073 I\n0.757926 0.242074 0.757926 I\n0.757926 0.757927 0.242073 I\n","nsites":10,"nelements":4,"elements":["Rb","Na","Sc","I"],"chemical_system":"I-Na-Rb-Sc","density":4.009051480718845,"density_atomic":0.02413563611893678,"volume":414.32510627528137,"volume_molar":24.951241103917038,"formula_full":"Rb2 Na1 Sc1 I6","formula_reduced":"Rb2NaScI6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225}]}