{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3530","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3528","results":[{"id":"jvasp-54567","created_at":"2022-09-04T14:38:34.424934Z","updated_at":"2022-09-04T14:38:34.424950Z","structure_string":"Y4 Ge10 Ru6\n1.0\n5.462472 -0.000000 1.978594\n2.105500 7.743620 2.716822\n0.020833 -0.016233 8.472143\nY Ge Ru\n4 10 6\ndirect\n0.860429 0.370904 0.908237 Y\n0.639570 0.091762 0.629096 Y\n0.139570 0.629096 0.091762 Y\n0.360429 0.908238 0.370903 Y\n0.542234 0.707765 0.707765 Ge\n0.912917 0.762855 0.411308 Ge\n0.042234 0.707765 0.707765 Ge\n0.587081 0.588692 0.237145 Ge\n0.250000 -0.000000 -0.000000 Ge\n0.750000 -0.000000 -0.000000 Ge\n0.087081 0.237146 0.588691 Ge\n0.412917 0.411309 0.762854 Ge\n0.457765 0.292235 0.292235 Ge\n0.957764 0.292235 0.292234 Ge\n0.749999 0.500000 0.499999 Ru\n0.647405 0.760321 0.944865 Ru\n0.852593 0.055135 0.239679 Ru\n0.147406 0.944866 0.760321 Ru\n0.352594 0.239679 0.055134 Ru\n0.250000 0.500000 0.500000 Ru\n","nsites":20,"nelements":3,"elements":["Y","Ge","Ru"],"chemical_system":"Ge-Ru-Y","density":7.826830558641618,"density_atomic":0.05583163207614522,"volume":358.2198702829118,"volume_molar":10.786252409363183,"formula_full":"Y4 Ge10 Ru6","formula_reduced":"Y2Ge5Ru3","formula_anonymous":"A2B3C5","energy_above_hull":2.733428215,"spacegroup":72},{"id":"jvasp-10671","created_at":"2022-09-04T14:37:20.265364Z","updated_at":"2022-09-04T14:37:20.265384Z","structure_string":"Tm6 Re1 O12\n1.0\n6.287233 0.000259 -0.974691\n-1.137477 6.183481 -0.974692\n0.000215 0.000259 6.362337\nTm Re O\n6 1 12\ndirect\n0.316817 0.610601 0.143700 Tm\n0.143700 0.316817 0.610602 Tm\n0.389399 0.856300 0.683183 Tm\n0.683183 0.389399 0.856301 Tm\n0.856300 0.683183 0.389399 Tm\n0.610601 0.143700 0.316818 Tm\n0.000000 0.000000 0.000000 Re\n0.923026 0.699920 0.037059 O\n0.699920 0.037059 0.923028 O\n0.588967 0.430066 0.177279 O\n0.300079 0.962941 0.076973 O\n0.037059 0.923027 0.699921 O\n0.822721 0.411032 0.569934 O\n0.569933 0.822721 0.411033 O\n0.411032 0.569934 0.822722 O\n0.177278 0.588968 0.430067 O\n0.430066 0.177279 0.588968 O\n0.076973 0.300080 0.962942 O\n0.962941 0.076973 0.300080 O\n","nsites":19,"nelements":3,"elements":["Tm","Re","O"],"chemical_system":"O-Re-Tm","density":9.343495839438306,"density_atomic":0.07681313473205213,"volume":247.35352965710683,"volume_molar":7.839988279357536,"formula_full":"Tm6 Re1 O12","formula_reduced":"Tm6ReO12","formula_anonymous":"AB6C12","energy_above_hull":2.7336434473684204,"spacegroup":148},{"id":"jvasp-44649","created_at":"2022-09-04T14:38:10.138295Z","updated_at":"2022-09-04T14:38:10.138320Z","structure_string":"Li1 Zn1 Fe4 O8\n1.0\n-0.000000 3.979385 3.979385\n3.979385 -0.000000 3.979385\n4.154571 4.154571 -0.175185\nLi Zn Fe O\n1 1 4 8\ndirect\n0.000572 0.000572 0.998284 Li\n0.629459 0.629459 0.111623 Zn\n0.247984 0.247984 0.256047 Fe\n0.621290 0.127229 0.630192 Fe\n0.127229 0.621290 0.630192 Fe\n0.621290 0.621290 0.630192 Fe\n0.852966 0.374257 0.398521 O\n0.374257 0.374257 0.398521 O\n0.374257 0.852966 0.398521 O\n0.377407 0.377407 0.867780 O\n0.879133 0.405749 0.835987 O\n0.859277 0.859277 0.422169 O\n0.405749 0.879133 0.835987 O\n0.879133 0.879133 0.835987 O\n","nsites":14,"nelements":4,"elements":["Li","Zn","Fe","O"],"chemical_system":"Fe-Li-O-Zn","density":5.237018102204578,"density_atomic":0.10420263949149136,"volume":134.3536024453888,"volume_molar":5.779259325280082,"formula_full":"Li1 Zn1 Fe4 O8","formula_reduced":"LiZn(FeO2)4","formula_anonymous":"ABC4D8","energy_above_hull":2.7336443142857143,"spacegroup":160},{"id":"jvasp-110205","created_at":"2022-09-04T14:38:20.161339Z","updated_at":"2022-09-04T14:38:20.161349Z","structure_string":"Na1 Nb2 S4\n1.0\n3.405965 0.000000 0.000000\n-1.702983 2.949652 0.000000\n0.000000 0.000000 13.617324\nNa Nb S\n1 2 4\ndirect\n0.333334 0.666666 0.000959 Na\n0.000000 0.000000 0.264272 Nb\n0.333334 0.666666 0.735397 Nb\n0.666668 0.333333 0.147108 S\n0.666668 0.333333 0.852771 S\n0.666668 0.333333 0.623398 S\n0.666668 0.333333 0.376292 S\n","nsites":7,"nelements":3,"elements":["Na","Nb","S"],"chemical_system":"Na-Nb-S","density":4.091257742935335,"density_atomic":0.05116763068318013,"volume":136.8052400812267,"volume_molar":11.769434463924872,"formula_full":"Na1 Nb2 S4","formula_reduced":"Na(NbS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.7337454,"spacegroup":156},{"id":"jvasp-19811","created_at":"2022-09-04T14:37:41.822168Z","updated_at":"2022-09-04T14:37:41.822201Z","structure_string":"Ta1 S2\n1.0\n1.691755 -2.930206 0.000000\n1.691755 2.930206 -0.000000\n0.000000 0.000000 5.966196\nTa S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333331 0.666666 0.256948 S\n0.666666 0.333331 0.743053 S\n","nsites":3,"nelements":2,"elements":["Ta","S"],"chemical_system":"S-Ta","density":6.880025978174697,"density_atomic":0.050717532998909846,"volume":59.15114207279135,"volume_molar":11.87388345590359,"formula_full":"Ta1 S2","formula_reduced":"TaS2","formula_anonymous":"AB2","energy_above_hull":2.7338630666666663,"spacegroup":164},{"id":"jvasp-593","created_at":"2022-09-04T14:37:13.498325Z","updated_at":"2022-09-04T14:37:13.498354Z","structure_string":"Ta1 S2\n1.0\n1.691775 -2.930241 0.000000\n1.691775 2.930241 -0.000000\n0.000000 -0.000000 5.966279\nTa S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333334 0.666668 0.256942 S\n0.666668 0.333334 0.743058 S\n","nsites":3,"nelements":2,"elements":["Ta","S"],"chemical_system":"S-Ta","density":6.87976675696172,"density_atomic":0.050715622096179996,"volume":59.15337081561632,"volume_molar":11.87433084933725,"formula_full":"Ta1 S2","formula_reduced":"TaS2","formula_anonymous":"AB2","energy_above_hull":2.7338630666666663,"spacegroup":164},{"id":"jvasp-10800","created_at":"2022-09-04T14:37:08.893827Z","updated_at":"2022-09-04T14:37:08.893848Z","structure_string":"Ti4 Cu3 O12\n1.0\n6.022723 -0.000000 -2.129354\n-3.011362 5.215832 -2.129354\n0.000000 -0.000000 6.388063\nTi Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.684677 0.507441 0.822763 O\n0.177237 0.315323 0.492559 O\n0.507441 0.822763 0.684677 O\n0.684677 0.861914 0.177238 O\n0.138086 0.822763 0.315323 O\n0.822763 0.684677 0.507442 O\n0.315323 0.492559 0.177237 O\n0.861914 0.177237 0.684677 O\n0.177237 0.684677 0.861914 O\n0.822763 0.315323 0.138087 O\n0.492559 0.177237 0.315323 O\n0.315323 0.138086 0.822763 O\n","nsites":19,"nelements":3,"elements":["Ti","Cu","O"],"chemical_system":"Cu-O-Ti","density":4.750617477280242,"density_atomic":0.09468210975962717,"volume":200.67148955843902,"volume_molar":6.360378719156789,"formula_full":"Ti4 Cu3 O12","formula_reduced":"Ti4(CuO4)3","formula_anonymous":"A3B4C12","energy_above_hull":2.733945088596491,"spacegroup":204},{"id":"jvasp-98581","created_at":"2022-09-04T14:36:16.355049Z","updated_at":"2022-09-04T14:36:16.355069Z","structure_string":"Mg4 Al8 Si10 O36\n1.0\n9.406750 0.000000 0.000000\n0.000000 8.504182 -4.832981\n0.000000 -0.003091 9.893092\nMg Al Si O\n4 8 10 36\ndirect\n0.250000 0.662456 0.324912 Mg\n0.250000 0.337544 0.675088 Mg\n0.750000 0.337544 0.675088 Mg\n0.750000 0.662456 0.324912 Mg\n0.749736 0.000000 0.500000 Al\n0.249736 0.500000 0.500000 Al\n0.250264 0.000000 0.500000 Al\n0.750264 0.500000 0.500000 Al\n0.500000 0.358998 0.102282 Al\n0.000000 0.743283 0.102282 Al\n0.000000 0.256717 0.897718 Al\n0.500000 0.641002 0.897718 Al\n0.500000 0.103198 0.729823 Si\n0.500000 0.270603 0.386031 Si\n0.000000 0.884571 0.613969 Si\n0.000000 0.115428 0.386031 Si\n0.750000 0.500000 -0.000000 Si\n0.250000 0.500000 -0.000000 Si\n0.000000 0.626624 0.729823 Si\n0.000000 0.373376 0.270177 Si\n0.500000 0.729397 0.613969 Si\n0.500000 0.896801 0.270177 Si\n0.141624 0.854519 0.504167 O\n0.858114 0.515036 0.653255 O\n0.141885 0.515036 0.653255 O\n0.650939 0.520596 0.874172 O\n0.650939 0.479404 0.125827 O\n0.849061 0.646423 0.125827 O\n0.849061 0.353576 0.874172 O\n0.349061 0.479404 0.125827 O\n0.150939 0.646423 0.125827 O\n0.858114 0.484964 0.346744 O\n0.358114 0.138219 0.653255 O\n0.358114 0.861781 0.346744 O\n0.500000 0.915169 0.669443 O\n0.500000 0.084831 0.330557 O\n0.000000 0.245726 0.330557 O\n0.000000 0.754274 0.669443 O\n0.500000 0.205675 0.913960 O\n0.500000 0.794325 0.086040 O\n0.000000 0.291715 0.086040 O\n0.000000 0.708285 0.913959 O\n0.500000 0.307531 0.245583 O\n0.500000 0.692469 0.754417 O\n0.000000 0.061948 0.754417 O\n0.000000 0.938051 0.245583 O\n0.641885 0.861781 0.346744 O\n0.641885 0.138219 0.653255 O\n0.141624 0.145481 0.495833 O\n0.141885 0.484964 0.346744 O\n0.358376 0.649648 0.504167 O\n0.358376 0.350352 0.495833 O\n0.858376 0.854519 0.504167 O\n0.858376 0.145481 0.495833 O\n0.641624 0.350352 0.495833 O\n0.641624 0.649648 0.504167 O\n0.150939 0.353576 0.874172 O\n0.349061 0.520596 0.874172 O\n","nsites":58,"nelements":4,"elements":["Mg","Al","Si","O"],"chemical_system":"Al-Mg-O-Si","density":2.455120896154257,"density_atomic":0.07329948420411758,"volume":791.27432654897,"volume_molar":8.215802369400174,"formula_full":"Mg4 Al8 Si10 O36","formula_reduced":"Mg2Al4Si5O18","formula_anonymous":"A2B4C5D18","energy_above_hull":2.7339822517241377,"spacegroup":66},{"id":"jvasp-86731","created_at":"2022-09-04T14:35:54.745652Z","updated_at":"2022-09-04T14:35:54.745680Z","structure_string":"Y2 Cr2 O8\n1.0\n4.664147 -0.000000 -1.893773\n-0.768924 4.600329 -1.893773\n-0.010930 -0.012908 6.663600\nY Cr O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Y\n0.625001 0.875000 0.250001 Y\n0.875001 0.625000 0.750001 Cr\n0.125000 0.375000 0.250000 Cr\n0.060708 0.196513 0.406991 O\n0.696513 0.846284 0.906992 O\n0.346285 0.710479 0.406992 O\n0.210480 0.560708 0.906991 O\n0.789522 0.439292 0.093010 O\n0.303489 0.153716 0.093009 O\n0.939293 0.803488 0.593010 O\n0.653717 0.289521 0.593010 O\n","nsites":12,"nelements":3,"elements":["Y","Cr","O"],"chemical_system":"Cr-O-Y","density":4.766979174025036,"density_atomic":0.084062906714694,"volume":142.75023870787027,"volume_molar":7.163850258519961,"formula_full":"Y2 Cr2 O8","formula_reduced":"YCrO4","formula_anonymous":"ABC4","energy_above_hull":2.734206141666667,"spacegroup":88},{"id":"jvasp-86129","created_at":"2022-09-04T14:35:48.076526Z","updated_at":"2022-09-04T14:35:48.076554Z","structure_string":"Y2 Cr2 O8\n1.0\n4.664152 -0.000000 -1.893775\n-0.768925 4.600333 -1.893775\n-0.010908 -0.012883 6.663660\nY Cr O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Y\n0.625000 0.875000 0.250001 Y\n0.875000 0.625000 0.750001 Cr\n0.125000 0.375000 0.250000 Cr\n0.060721 0.196502 0.406993 O\n0.696501 0.846273 0.906994 O\n0.346273 0.710492 0.406993 O\n0.210492 0.560721 0.906993 O\n0.789508 0.439279 0.093008 O\n0.303499 0.153727 0.093008 O\n0.939280 0.803499 0.593009 O\n0.653727 0.289508 0.593008 O\n","nsites":12,"nelements":3,"elements":["Y","Cr","O"],"chemical_system":"Cr-O-Y","density":4.766911939396592,"density_atomic":0.08406172107110453,"volume":142.7522521201971,"volume_molar":7.163951300623629,"formula_full":"Y2 Cr2 O8","formula_reduced":"YCrO4","formula_anonymous":"ABC4","energy_above_hull":2.734221141666666,"spacegroup":88},{"id":"jvasp-48300","created_at":"2022-09-04T14:36:36.777262Z","updated_at":"2022-09-04T14:36:36.777287Z","structure_string":"Li4 Ti4 Fe2 O12\n1.0\n5.000869 -0.023857 -0.000000\n-2.533742 4.311544 0.000000\n0.000000 0.000000 10.241536\nLi Ti Fe O\n4 4 2 12\ndirect\n0.152011 0.652010 0.750000 Li\n0.347989 0.847988 0.250000 Li\n0.652011 0.152011 0.750000 Li\n0.847989 0.347988 0.250000 Li\n0.160126 0.839873 0.500000 Ti\n0.339874 0.660125 0.000000 Ti\n0.660126 0.339873 0.000000 Ti\n0.839874 0.160125 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.506377 0.162601 0.390745 O\n0.835072 0.835070 0.394405 O\n0.337399 0.993622 0.890745 O\n0.664928 0.664927 0.894405 O\n0.335072 0.335071 0.105596 O\n0.006377 0.662600 0.109255 O\n0.493623 0.837398 0.609255 O\n0.162601 0.506376 0.390745 O\n0.993623 0.337398 0.890745 O\n0.837399 0.493622 0.609255 O\n0.164928 0.164928 0.605596 O\n0.662601 0.006376 0.109255 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":3.9432643036589305,"density_atomic":0.09990760241858242,"volume":220.2034626737083,"volume_molar":6.027710218456715,"formula_full":"Li4 Ti4 Fe2 O12","formula_reduced":"Li2Ti2FeO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.734501196969697,"spacegroup":64},{"id":"jvasp-56780","created_at":"2022-09-04T14:37:14.225012Z","updated_at":"2022-09-04T14:37:14.225039Z","structure_string":"Sr3 Li4 Ge2 N6\n1.0\n5.895132 -0.004691 -0.076474\n-2.682406 5.249506 -0.076474\n-0.008304 -0.013556 6.331062\nSr Li Ge N\n3 4 2 6\ndirect\n0.811061 0.188939 0.500001 Sr\n0.188939 0.811062 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.182621 0.543512 0.118158 Li\n0.817379 0.456488 0.881844 Li\n0.456488 0.817379 0.881844 Li\n0.543512 0.182621 0.118158 Li\n0.610948 0.610949 0.318630 Ge\n0.389051 0.389051 0.681371 Ge\n0.453990 0.139861 0.803361 N\n0.546010 0.860139 0.196640 N\n0.297020 0.297020 0.367574 N\n0.702980 0.702980 0.632427 N\n0.139862 0.453990 0.803361 N\n0.860138 0.546011 0.196640 N\n","nsites":15,"nelements":4,"elements":["Sr","Li","Ge","N"],"chemical_system":"Ge-Li-N-Sr","density":4.408806533153717,"density_atomic":0.07659606608392178,"volume":195.83251160138417,"volume_molar":7.862206334985789,"formula_full":"Sr3 Li4 Ge2 N6","formula_reduced":"Sr3Li4(GeN3)2","formula_anonymous":"A2B3C4D6","energy_above_hull":2.7346633553333333,"spacegroup":12}]}