{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4394","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=4392","results":[{"id":"jvasp-65530","created_at":"2022-09-04T14:35:42.318327Z","updated_at":"2022-09-04T14:35:42.318358Z","structure_string":"K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n","nsites":4,"nelements":3,"elements":["K","Ba","Cd"],"chemical_system":"Ba-Cd-K","density":4.410375662987993,"density_atomic":0.026477340090433555,"volume":151.07257701634566,"volume_molar":22.744508094209362,"formula_full":"K1 Ba1 Cd2","formula_reduced":"KBaCd2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-92194","created_at":"2022-09-04T14:35:44.174341Z","updated_at":"2022-09-04T14:35:44.174369Z","structure_string":"Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n","nsites":8,"nelements":3,"elements":["Mg","Zn","Fe"],"chemical_system":"Fe-Mg-Zn","density":2.8792449636505295,"density_atomic":0.05193637495204996,"volume":154.03462423755926,"volume_molar":11.595227363403618,"formula_full":"Mg6 Zn1 Fe1","formula_reduced":"Mg6ZnFe","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-3183","created_at":"2022-09-04T14:35:44.675609Z","updated_at":"2022-09-04T14:35:44.675636Z","structure_string":"Sr2 Cu2 S2 F2\n1.0\n3.961285 0.000000 0.000000\n0.000000 3.961285 0.000000\n0.000000 0.000000 8.660582\nSr Cu S F\n2 2 2 2\ndirect\n0.000000 0.499999 0.830133 Sr\n0.499999 0.000000 0.169867 Sr\n0.499999 0.499999 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.499999 0.000000 0.664121 S\n0.000000 0.499999 0.335879 S\n0.499999 0.499999 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":8,"nelements":4,"elements":["Sr","Cu","S","F"],"chemical_system":"Cu-F-S-Sr","density":4.942015878566441,"density_atomic":0.058866840920721517,"volume":135.89993746689993,"volume_molar":10.230106908760865,"formula_full":"Sr2 Cu2 S2 F2","formula_reduced":"SrCuSF","formula_anonymous":"ABCD","energy_above_hull":0.0,"spacegroup":129},{"id":"jvasp-98083","created_at":"2022-09-04T14:35:42.627827Z","updated_at":"2022-09-04T14:35:42.627838Z","structure_string":"Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n","nsites":40,"nelements":4,"elements":["Sb","I","Cl","F"],"chemical_system":"Cl-F-I-Sb","density":3.6476632444780224,"density_atomic":0.05066587429380191,"volume":789.4860309337108,"volume_molar":11.885990015841301,"formula_full":"Sb4 I4 Cl8 F24","formula_reduced":"SbI(ClF3)2","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":64},{"id":"jvasp-91866","created_at":"2022-09-04T14:35:46.169419Z","updated_at":"2022-09-04T14:35:46.169451Z","structure_string":"Mg7 Cd1\n1.0\n6.332018 0.000000 0.000000\n-3.166009 5.483688 0.000000\n0.000000 -0.000000 5.136831\nMg Cd\n7 1\ndirect\n0.164965 0.832482 0.250000 Mg\n0.667518 0.335036 0.250000 Mg\n0.667518 0.832482 0.250000 Mg\n0.333143 0.166858 0.750000 Mg\n0.333143 0.666287 0.750000 Mg\n0.833713 0.166858 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cd\n","nsites":8,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":2.630438213390585,"density_atomic":0.04485179528146294,"volume":178.3652125806069,"volume_molar":13.426755210596719,"formula_full":"Mg7 Cd1","formula_reduced":"Mg7Cd","formula_anonymous":"AB7","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-64780","created_at":"2022-09-04T14:35:42.223568Z","updated_at":"2022-09-04T14:35:42.223589Z","structure_string":"Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n","nsites":6,"nelements":3,"elements":["Ba","Ca","Sn"],"chemical_system":"Ba-Ca-Sn","density":4.2770865470680395,"density_atomic":0.02182519085382257,"volume":274.9116853174794,"volume_molar":27.592614425844772,"formula_full":"Ba4 Ca1 Sn1","formula_reduced":"Ba4CaSn","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-94731","created_at":"2022-09-04T14:35:41.445406Z","updated_at":"2022-09-04T14:35:41.445427Z","structure_string":"Li1 Ca1 Mg6\n1.0\n6.708491 0.147425 0.000000\n-3.226572 5.588586 0.000000\n0.000000 0.000000 5.194372\nLi Ca Mg\n1 1 6\ndirect\n0.182400 0.841200 0.250000 Li\n0.147372 0.323686 0.250000 Ca\n0.650698 0.324785 0.250000 Mg\n0.650698 0.825914 0.250000 Mg\n0.345213 0.167908 0.750000 Mg\n0.345213 0.677307 0.750000 Mg\n0.818230 0.159116 0.750000 Mg\n0.860179 0.680091 0.750000 Mg\n","nsites":8,"nelements":3,"elements":["Li","Ca","Mg"],"chemical_system":"Ca-Li-Mg","density":1.6237945877234747,"density_atomic":0.040565290257045666,"volume":197.2129362148593,"volume_molar":14.845550769734805,"formula_full":"Li1 Ca1 Mg6","formula_reduced":"LiCaMg6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-93181","created_at":"2022-09-04T14:35:46.113812Z","updated_at":"2022-09-04T14:35:46.113836Z","structure_string":"K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n","nsites":8,"nelements":3,"elements":["K","Mg","Cd"],"chemical_system":"Cd-K-Mg","density":2.286488969565795,"density_atomic":0.037047395822001436,"volume":215.9396044579473,"volume_molar":16.25523367130603,"formula_full":"K1 Mg6 Cd1","formula_reduced":"KMg6Cd","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-96463","created_at":"2022-09-04T14:35:44.742695Z","updated_at":"2022-09-04T14:35:44.742720Z","structure_string":"Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n","nsites":22,"nelements":3,"elements":["Sr","Cl","O"],"chemical_system":"Cl-O-Sr","density":3.431081473147026,"density_atomic":0.03924171820730903,"volume":560.6278472256689,"volume_molar":15.346271863494335,"formula_full":"Sr8 Cl12 O2","formula_reduced":"Sr4Cl6O","formula_anonymous":"AB4C6","energy_above_hull":0.0,"spacegroup":186},{"id":"jvasp-94082","created_at":"2022-09-04T14:35:46.684223Z","updated_at":"2022-09-04T14:35:46.684242Z","structure_string":"Sr1 Mg6 V1\n1.0\n6.980569 -1.870481 0.000000\n-5.110169 8.851071 0.000000\n0.000000 0.000000 3.767534\nSr Mg V\n1 6 1\ndirect\n0.250022 0.875010 0.250000 Sr\n0.749960 0.374994 0.250000 Mg\n0.749960 0.874965 0.250000 Mg\n0.249970 0.158870 0.749999 Mg\n0.249970 0.591101 0.749999 Mg\n0.817820 0.158912 0.749999 Mg\n0.682245 0.591123 0.749999 Mg\n0.250052 0.375024 0.250000 V\n","nsites":8,"nelements":3,"elements":["Sr","Mg","V"],"chemical_system":"Mg-Sr-V","density":2.4000104604932004,"density_atomic":0.0406571949542998,"volume":196.76714069901521,"volume_molar":14.81199272790243,"formula_full":"Sr1 Mg6 V1","formula_reduced":"SrMg6V","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-94118","created_at":"2022-09-04T14:35:46.651182Z","updated_at":"2022-09-04T14:35:46.651207Z","structure_string":"Mg6 Cd1 Co1\n1.0\n6.116719 -0.060554 0.000000\n-3.110801 5.388064 0.000000\n0.000000 0.000000 4.789765\nMg Cd Co\n6 1 1\ndirect\n0.671974 0.333346 0.250000 Mg\n0.671974 0.838625 0.250000 Mg\n0.321418 0.175794 0.749999 Mg\n0.321418 0.645624 0.749999 Mg\n0.849193 0.174598 0.749999 Mg\n0.833335 0.666668 0.749999 Mg\n0.170683 0.835341 0.250000 Cd\n0.160005 0.330003 0.250000 Co\n","nsites":8,"nelements":3,"elements":["Mg","Cd","Co"],"chemical_system":"Cd-Co-Mg","density":3.355605117472063,"density_atomic":0.05096991288178794,"volume":156.95533987970538,"volume_molar":11.815089372365339,"formula_full":"Mg6 Cd1 Co1","formula_reduced":"Mg6CdCo","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-64894","created_at":"2022-09-04T14:35:44.770732Z","updated_at":"2022-09-04T14:35:44.770761Z","structure_string":"Mg1 Be1 Ga4\n1.0\n0.000000 3.801651 3.801651\n3.801651 -0.000000 3.801651\n3.801651 3.801651 -0.000000\nMg Be Ga\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Be\n0.374614 0.374614 0.374614 Ga\n0.374614 0.876159 0.374614 Ga\n0.374614 0.374614 0.876159 Ga\n0.876159 0.374614 0.374614 Ga\n","nsites":6,"nelements":3,"elements":["Mg","Be","Ga"],"chemical_system":"Be-Ga-Mg","density":4.717892464440836,"density_atomic":0.05460149315126393,"volume":109.8871047972634,"volume_molar":11.02926021329986,"formula_full":"Mg1 Be1 Ga4","formula_reduced":"MgBeGa4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216}]}