{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=622","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=620","results":[{"id":"jvasp-4858","created_at":"2022-09-04T14:36:38.804487Z","updated_at":"2022-09-04T14:36:38.804506Z","structure_string":"Tm2 Ag2 P4 Se12\n1.0\n3.301898 -5.719055 0.000000\n3.301898 5.719055 0.000000\n0.000000 0.000000 13.493315\nTm Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.665301 P\n0.666667 0.333333 0.834698 P\n0.333333 0.666667 0.334698 P\n0.333333 0.666667 0.165302 P\n0.980718 0.320387 0.616130 Se\n0.980718 0.660332 0.883869 Se\n0.679613 0.019282 0.883869 Se\n0.339669 0.320387 0.883869 Se\n0.320387 0.339669 0.383870 Se\n0.320387 0.980718 0.116130 Se\n0.019282 0.679613 0.383870 Se\n0.019282 0.339669 0.116130 Se\n0.339669 0.019282 0.616130 Se\n0.660332 0.679613 0.116130 Se\n0.660332 0.980718 0.383870 Se\n0.679613 0.660332 0.616130 Se\n","nsites":20,"nelements":4,"elements":["Tm","Ag","P","Se"],"chemical_system":"Ag-P-Se-Tm","density":5.295063730402206,"density_atomic":0.03924582062854195,"volume":509.6084036386484,"volume_molar":15.344667695954186,"formula_full":"Tm2 Ag2 P4 Se12","formula_reduced":"TmAg(PSe3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.7876482709999997,"spacegroup":163},{"id":"jvasp-97772","created_at":"2022-09-04T14:36:20.088790Z","updated_at":"2022-09-04T14:36:20.088817Z","structure_string":"Pr8 Se8 O4\n1.0\n7.393712 0.000000 0.000000\n0.000000 7.292122 -1.310330\n0.000000 0.016567 8.921095\nPr Se O\n8 8 4\ndirect\n0.648334 0.826516 0.574755 Pr\n0.351666 0.173484 0.425246 Pr\n0.851666 0.326516 0.574755 Pr\n0.552966 0.752910 0.141887 Pr\n0.052967 0.747090 0.858113 Pr\n0.447033 0.247090 0.858114 Pr\n0.947033 0.252910 0.141887 Pr\n0.148334 0.673484 0.425246 Pr\n0.872445 0.929875 0.318906 Se\n0.221378 0.528873 0.078027 Se\n0.721378 0.971127 0.921974 Se\n0.127555 0.070125 0.681094 Se\n0.627555 0.429875 0.318906 Se\n0.372445 0.570125 0.681094 Se\n0.278622 0.028873 0.078027 Se\n0.778622 0.471128 0.921974 Se\n0.415055 0.850211 0.385863 O\n0.084945 0.350211 0.385863 O\n0.584945 0.149789 0.614138 O\n0.915055 0.649789 0.614138 O\n","nsites":20,"nelements":3,"elements":["Pr","Se","O"],"chemical_system":"O-Pr-Se","density":6.2913184339172235,"density_atomic":0.04156717185253316,"volume":481.1489237457268,"volume_molar":14.487732726596365,"formula_full":"Pr8 Se8 O4","formula_reduced":"Pr2Se2O","formula_anonymous":"AB2C2","energy_above_hull":1.3089239866666669,"spacegroup":14},{"id":"jvasp-1225","created_at":"2022-09-04T14:36:15.751964Z","updated_at":"2022-09-04T14:36:15.751984Z","structure_string":"Bi8 O12\n1.0\n0.000000 5.934150 -0.032529\n8.139181 0.000000 0.000000\n0.000000 -2.839589 -6.901743\nBi O\n8 12\ndirect\n0.038145 0.543761 0.274786 Bi\n0.961855 0.043761 0.225214 Bi\n0.961854 0.456239 0.725214 Bi\n0.038145 0.956239 0.774786 Bi\n0.522169 0.689839 0.869144 Bi\n0.477830 0.189839 0.630855 Bi\n0.477830 0.310161 0.130855 Bi\n0.522170 0.810161 0.369145 Bi\n0.221715 0.207329 0.793227 O\n0.778285 0.707329 0.706773 O\n0.236634 0.946367 0.122266 O\n0.763366 0.446367 0.377734 O\n0.763366 0.053632 0.877734 O\n0.727820 0.034389 0.483981 O\n0.272179 0.965611 0.516018 O\n0.727820 0.465611 0.983981 O\n0.221715 0.292671 0.293227 O\n0.272179 0.534389 0.016019 O\n0.236634 0.553632 0.622266 O\n0.778285 0.792671 0.206773 O\n","nsites":20,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":9.26361317346693,"density_atomic":0.0598623296213689,"volume":334.099927725844,"volume_molar":10.059983963354297,"formula_full":"Bi8 O12","formula_reduced":"Bi2O3","formula_anonymous":"A2B3","energy_above_hull":1.65078382,"spacegroup":14},{"id":"jvasp-99367","created_at":"2022-09-04T14:36:20.129313Z","updated_at":"2022-09-04T14:36:20.129324Z","structure_string":"La4 Mg2 Ti2 O12\n1.0\n5.576464 0.000000 -0.006718\n0.000000 5.616638 0.000000\n-0.001021 0.000000 7.892708\nLa Mg Ti O\n4 2 2 12\ndirect\n0.993156 0.035550 0.249120 La\n0.006843 0.964451 0.750880 La\n0.493157 0.464450 0.749120 La\n0.506843 0.535550 0.250880 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.720212 0.293277 0.458886 O\n0.779787 0.793277 0.041113 O\n0.920912 0.518425 0.743575 O\n0.206129 0.218640 0.542972 O\n0.293870 0.718640 0.957029 O\n0.793870 0.781361 0.457028 O\n0.706129 0.281360 0.042971 O\n0.420913 0.981575 0.243574 O\n0.079087 0.481575 0.256426 O\n0.579087 0.018425 0.756426 O\n0.220213 0.206723 0.958887 O\n0.279787 0.706723 0.541114 O\n","nsites":20,"nelements":4,"elements":["La","Mg","Ti","O"],"chemical_system":"La-Mg-O-Ti","density":5.991458129385323,"density_atomic":0.08090375716792995,"volume":247.20730779519286,"volume_molar":7.4435860222164845,"formula_full":"La4 Mg2 Ti2 O12","formula_reduced":"La2MgTiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.186122838333333,"spacegroup":14},{"id":"jvasp-45671","created_at":"2022-09-04T14:36:34.385478Z","updated_at":"2022-09-04T14:36:34.385499Z","structure_string":"Pr2 Zn2 Bi4 O12\n1.0\n0.000000 6.508658 -0.000795\n5.703384 0.000000 0.000000\n0.000000 -0.000875 -8.557640\nPr Zn Bi O\n2 2 4 12\ndirect\n0.836843 0.036977 0.249996 Pr\n0.163158 0.536977 0.750005 Pr\n0.101457 0.527127 0.249995 Zn\n0.898544 0.027127 0.750006 Zn\n0.283634 0.008565 0.008064 Bi\n0.283628 0.008563 0.491929 Bi\n0.716373 0.508562 0.508071 Bi\n0.716367 0.508565 0.991936 Bi\n0.957023 0.810841 0.925850 O\n0.410844 0.658817 0.564937 O\n0.410846 0.658813 0.935059 O\n0.763705 0.628935 0.250005 O\n0.810080 0.350522 0.750004 O\n0.589155 0.158814 0.064941 O\n0.042976 0.310835 0.425840 O\n0.589157 0.158818 0.435064 O\n0.957025 0.810835 0.574161 O\n0.236297 0.128936 0.749995 O\n0.042978 0.310842 0.074151 O\n0.189922 0.850521 0.249997 O\n","nsites":20,"nelements":4,"elements":["Pr","Zn","Bi","O"],"chemical_system":"Bi-O-Pr-Zn","density":7.530063832623938,"density_atomic":0.0629581434165872,"volume":317.6713752129279,"volume_molar":9.565308684775134,"formula_full":"Pr2 Zn2 Bi4 O12","formula_reduced":"PrZn(BiO3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.7787429850000005,"spacegroup":31},{"id":"jvasp-99020","created_at":"2022-09-04T14:36:20.247966Z","updated_at":"2022-09-04T14:36:20.247990Z","structure_string":"Pr4 Mn4 O12\n1.0\n5.506616 -0.000000 0.000000\n0.000000 5.584365 0.000000\n0.000000 0.000000 7.806052\nPr Mn O\n4 4 12\ndirect\n0.990362 0.043808 0.250000 Pr\n0.509640 0.543807 0.250000 Pr\n0.009639 0.956192 0.750000 Pr\n0.490361 0.456192 0.750000 Pr\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.922779 0.515903 0.750000 O\n0.422779 0.984096 0.250000 O\n0.714189 0.287533 0.458400 O\n0.714189 0.287533 0.041600 O\n0.214189 0.212467 0.958400 O\n0.785812 0.787533 0.458400 O\n0.285811 0.712466 0.541600 O\n0.285811 0.712466 0.958400 O\n0.785812 0.787533 0.041600 O\n0.214189 0.212467 0.541600 O\n0.077222 0.484096 0.250000 O\n0.577222 0.015903 0.750000 O\n","nsites":20,"nelements":3,"elements":["Pr","Mn","O"],"chemical_system":"Mn-O-Pr","density":6.747314394966349,"density_atomic":0.08331821687088699,"volume":240.0435433104953,"volume_molar":7.227880031724795,"formula_full":"Pr4 Mn4 O12","formula_reduced":"PrMnO3","formula_anonymous":"ABC3","energy_above_hull":2.244091518275862,"spacegroup":62},{"id":"jvasp-4855","created_at":"2022-09-04T14:36:34.175783Z","updated_at":"2022-09-04T14:36:34.175810Z","structure_string":"Er2 Ag2 P4 Se12\n1.0\n3.307377 -5.728544 0.000000\n3.307377 5.728544 0.000000\n0.000000 0.000000 13.496468\nEr Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333334 0.666667 0.250000 Ag\n0.666667 0.333334 0.750000 Ag\n0.666667 0.333334 0.334771 P\n0.666667 0.333334 0.165229 P\n0.333334 0.666667 0.665229 P\n0.333334 0.666667 0.834771 P\n0.341044 0.321868 0.384063 Se\n0.678133 0.658957 0.115937 Se\n0.341044 0.019176 0.115937 Se\n0.980825 0.321868 0.115937 Se\n0.019176 0.341044 0.615937 Se\n0.658957 0.980825 0.884063 Se\n0.658957 0.678133 0.615937 Se\n0.321868 0.341044 0.884063 Se\n0.678133 0.019176 0.384063 Se\n0.019176 0.678133 0.884063 Se\n0.321868 0.980825 0.615937 Se\n0.980825 0.658957 0.384063 Se\n","nsites":20,"nelements":4,"elements":["Er","Ag","P","Se"],"chemical_system":"Ag-Er-P-Se","density":5.265424042137158,"density_atomic":0.03910676715640527,"volume":511.4204383095935,"volume_molar":15.399229335206343,"formula_full":"Er2 Ag2 P4 Se12","formula_reduced":"ErAg(PSe3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.789572846,"spacegroup":163},{"id":"jvasp-96632","created_at":"2022-09-04T14:36:15.820017Z","updated_at":"2022-09-04T14:36:15.820033Z","structure_string":"Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n","nsites":20,"nelements":3,"elements":["Tm","S","O"],"chemical_system":"O-S-Tm","density":7.52982764151079,"density_atomic":0.054241529263702015,"volume":368.7211675535084,"volume_molar":11.102453860993862,"formula_full":"Tm8 S8 O4","formula_reduced":"Tm2S2O","formula_anonymous":"AB2C2","energy_above_hull":1.3251664,"spacegroup":14},{"id":"jvasp-103773","created_at":"2022-09-04T14:36:33.936405Z","updated_at":"2022-09-04T14:36:33.936418Z","structure_string":"H6 C11 S2 O1\n1.0\n4.079491 0.005666 -0.582214\n-1.839046 5.573456 -0.200315\n-0.108459 0.078547 10.027428\nH C S O\n6 11 2 1\ndirect\n0.246788 0.022395 0.430893 H\n0.678296 0.364227 0.825911 H\n0.426728 0.325610 0.567567 H\n0.535403 0.213027 0.228309 H\n0.880754 0.257464 0.455283 H\n0.910249 0.976541 0.201110 H\n0.897526 0.818894 0.257724 C\n0.087706 0.844385 0.387853 C\n0.483396 0.546216 0.063419 C\n0.690928 0.590801 0.198942 C\n0.089843 0.643979 0.461759 C\n0.510713 0.677489 0.842704 C\n0.887883 0.415842 0.399971 C\n0.284237 0.646938 0.596500 C\n0.553672 0.485040 0.776113 C\n0.419510 0.466476 0.637827 C\n0.690925 0.390162 0.273408 C\n0.159601 0.300910 0.012915 S\n0.324339 0.847199 0.734669 S\n0.598003 0.732852 0.981020 O\n","nsites":20,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.5905999653781557,"density_atomic":0.08776040034376105,"volume":227.89321746094126,"volume_molar":6.862025168995389,"formula_full":"H6 C11 S2 O1","formula_reduced":"H6C11S2O","formula_anonymous":"AB2C6D11","energy_above_hull":5.565466175000001,"spacegroup":1},{"id":"jvasp-43443","created_at":"2022-09-04T14:36:33.650829Z","updated_at":"2022-09-04T14:36:33.650855Z","structure_string":"Ag4 Au4 O12\n1.0\n-5.112869 5.112869 0.000000\n5.112869 -0.000000 5.112869\n5.112869 5.112869 0.000000\nAg Au O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n-0.000000 0.500000 0.000000 Ag\n-0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.409097 0.250000 0.840903 O\n0.159097 0.318194 0.590903 O\n0.159097 0.750000 0.159097 O\n0.590903 0.750000 0.590903 O\n0.840903 0.681806 0.409097 O\n0.590903 0.181806 0.159097 O\n0.840903 0.250000 0.840903 O\n0.590903 0.750000 0.159097 O\n0.409097 0.818194 0.840903 O\n0.840903 0.250000 0.409097 O\n0.409097 0.250000 0.409097 O\n0.159097 0.750000 0.590903 O\n","nsites":20,"nelements":3,"elements":["Ag","Au","O"],"chemical_system":"Ag-Au-O","density":8.7670655898887,"density_atomic":0.0748179842750289,"volume":267.31540810402663,"volume_molar":8.049055074596465,"formula_full":"Ag4 Au4 O12","formula_reduced":"AgAuO3","formula_anonymous":"ABC3","energy_above_hull":1.5578330659999997,"spacegroup":227},{"id":"jvasp-99149","created_at":"2022-09-04T14:36:20.869766Z","updated_at":"2022-09-04T14:36:20.869795Z","structure_string":"Cr4 Bi4 O12\n1.0\n5.435592 0.000000 0.000000\n-0.000000 5.612892 0.000000\n0.000000 0.000000 7.773248\nCr Bi O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.009538 0.948667 0.750000 Bi\n0.990461 0.051333 0.250000 Bi\n0.509538 0.551333 0.250000 Bi\n0.490461 0.448667 0.750000 Bi\n0.087925 0.475668 0.250000 O\n0.199845 0.203313 0.957027 O\n0.199845 0.203313 0.542973 O\n0.800155 0.796686 0.042973 O\n0.300155 0.703313 0.542973 O\n0.800155 0.796686 0.457027 O\n0.699844 0.296687 0.457027 O\n0.699844 0.296687 0.042973 O\n0.587925 0.024332 0.750000 O\n0.912075 0.524332 0.750000 O\n0.412075 0.975668 0.250000 O\n0.300155 0.703313 0.957027 O\n","nsites":20,"nelements":3,"elements":["Cr","Bi","O"],"chemical_system":"Bi-Cr-O","density":8.65358268254148,"density_atomic":0.08433229809847273,"volume":237.15706142202478,"volume_molar":7.140966030556995,"formula_full":"Cr4 Bi4 O12","formula_reduced":"CrBiO3","formula_anonymous":"ABC3","energy_above_hull":2.4027704399999994,"spacegroup":62},{"id":"jvasp-45381","created_at":"2022-09-04T14:37:00.102897Z","updated_at":"2022-09-04T14:37:00.102913Z","structure_string":"K4 Cd4 F12\n1.0\n6.105761 0.000000 0.000000\n0.000000 6.242149 0.000000\n0.000000 0.000000 8.690238\nK Cd F\n4 4 12\ndirect\n0.988400 0.046844 0.250000 K\n0.511600 0.546844 0.250000 K\n0.488400 0.453157 0.750000 K\n0.011600 0.953157 0.750000 K\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.413423 0.972066 0.250000 F\n0.086577 0.472066 0.250000 F\n0.704015 0.293535 0.045406 F\n0.795985 0.793535 0.454594 F\n0.204015 0.206465 0.954594 F\n0.795985 0.793535 0.045406 F\n0.295985 0.706465 0.954594 F\n0.204015 0.206465 0.545406 F\n0.586577 0.027934 0.750000 F\n0.704015 0.293535 0.454594 F\n0.295985 0.706465 0.545406 F\n0.913422 0.527935 0.750000 F\n","nsites":20,"nelements":3,"elements":["K","Cd","F"],"chemical_system":"Cd-F-K","density":4.181373273571926,"density_atomic":0.06038434967320745,"volume":331.2116485188215,"volume_molar":9.973015843659942,"formula_full":"K4 Cd4 F12","formula_reduced":"KCdF3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":62}]}