{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3460","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3458","results":[{"id":"jvasp-59882","created_at":"2022-09-04T14:36:42.483922Z","updated_at":"2022-09-04T14:36:42.483944Z","structure_string":"Y2 Co4 S8\n1.0\n6.343616 0.000000 -3.330479\n-1.748544 6.097874 -3.330479\n-0.291561 -0.386915 7.151294\nY Co S\n2 4 8\ndirect\n0.375002 0.625001 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.000000 0.500001 0.000001 Co\n0.000001 0.000000 0.500000 Co\n0.500001 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.771527 0.814326 0.543053 S\n0.771274 0.228475 0.956949 S\n0.185676 0.228475 0.956948 S\n0.228474 0.185674 0.456948 S\n0.228473 0.771272 0.456946 S\n0.228727 0.771526 0.043053 S\n0.771527 0.228727 0.543052 S\n0.814326 0.771526 0.043052 S\n","nsites":14,"nelements":3,"elements":["Y","Co","S"],"chemical_system":"Co-S-Y","density":4.274864635493882,"density_atomic":0.05378791486350909,"volume":260.2815155695487,"volume_molar":11.196085171328239,"formula_full":"Y2 Co4 S8","formula_reduced":"Y(CoS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.6668681785714288,"spacegroup":227},{"id":"jvasp-40294","created_at":"2022-09-04T14:37:54.715421Z","updated_at":"2022-09-04T14:37:54.715447Z","structure_string":"Sc1 In1 Ir2\n1.0\n0.000000 3.230124 3.230122\n3.230127 -0.000003 3.230125\n3.230130 3.230130 -0.000007\nSc In Ir\n1 1 2\ndirect\n0.749998 0.749999 0.750001 Sc\n0.250000 0.250001 0.250001 In\n0.000000 0.000000 0.000000 Ir\n0.499999 0.500000 0.500001 Ir\n","nsites":4,"nelements":3,"elements":["Sc","In","Ir"],"chemical_system":"In-Ir-Sc","density":13.406788433982278,"density_atomic":0.059343177735264104,"volume":67.40454678454199,"volume_molar":10.147991715012932,"formula_full":"Sc1 In1 Ir2","formula_reduced":"ScInIr2","formula_anonymous":"ABC2","energy_above_hull":2.667276855,"spacegroup":225},{"id":"jvasp-14866","created_at":"2022-09-04T14:36:19.262005Z","updated_at":"2022-09-04T14:36:19.262031Z","structure_string":"Mo1 P1\n1.0\n1.628257 -2.820224 0.000000\n1.628257 2.820224 -0.000000\n0.000000 -0.000000 3.207186\nMo P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333334 0.666668 0.500001 P\n","nsites":2,"nelements":2,"elements":["Mo","P"],"chemical_system":"Mo-P","density":7.154793669441035,"density_atomic":0.06789992499161884,"volume":29.45511354021183,"volume_molar":8.869141992046877,"formula_full":"Mo1 P1","formula_reduced":"MoP","formula_anonymous":"AB","energy_above_hull":2.6673157000000005,"spacegroup":187},{"id":"jvasp-59268","created_at":"2022-09-04T14:38:09.266006Z","updated_at":"2022-09-04T14:38:09.266033Z","structure_string":"Tm4 Ti4 O14\n1.0\n7.112039 0.000000 0.000000\n3.556019 6.159206 0.000000\n3.556019 2.053069 5.806956\nTm Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tm\n0.500000 -0.000000 0.500000 Tm\n-0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.082799 0.082800 0.667201 O\n0.082799 0.667201 0.082800 O\n0.375000 0.375000 0.375000 O\n0.667200 0.667201 0.082800 O\n0.332799 0.332800 0.917201 O\n0.917200 0.332800 0.332800 O\n0.332799 0.917201 0.917201 O\n0.667200 0.082800 0.082800 O\n0.625000 0.625000 0.625000 O\n0.917200 0.917201 0.332800 O\n0.917200 0.332800 0.917201 O\n0.667200 0.082800 0.667201 O\n0.332799 0.917201 0.332800 O\n0.082799 0.667201 0.667201 O\n","nsites":22,"nelements":3,"elements":["Tm","Ti","O"],"chemical_system":"O-Ti-Tm","density":7.123355901560539,"density_atomic":0.08648788687646147,"volume":254.37088122438007,"volume_molar":6.962987508992991,"formula_full":"Tm4 Ti4 O14","formula_reduced":"Tm2Ti2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.667330878787879,"spacegroup":227},{"id":"jvasp-87129","created_at":"2022-09-04T14:35:58.331269Z","updated_at":"2022-09-04T14:35:58.331291Z","structure_string":"Fe1 Co1 O2\n1.0\n2.860268 -0.051416 4.160123\n1.254324 2.571078 4.160123\n-0.083962 -0.051416 5.047842\nFe Co O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Fe\n0.000000 0.000000 0.000000 Co\n0.750272 0.750270 0.750271 O\n0.249729 0.249728 0.249728 O\n","nsites":4,"nelements":3,"elements":["Fe","Co","O"],"chemical_system":"Co-Fe-O","density":6.2968054241673235,"density_atomic":0.10334112267599309,"volume":38.706759675344905,"volume_molar":5.827438878210474,"formula_full":"Fe1 Co1 O2","formula_reduced":"FeCoO2","formula_anonymous":"ABC2","energy_above_hull":2.6674608500000003,"spacegroup":166},{"id":"jvasp-75662","created_at":"2022-09-04T14:35:51.220929Z","updated_at":"2022-09-04T14:35:51.220942Z","structure_string":"Mn2 Ga1 As1\n1.0\n0.000000 3.108287 3.108287\n3.108287 0.000000 3.108287\n3.108287 3.108287 -0.000000\nMn Ga As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750001 0.750001 0.750001 Ga\n0.500001 0.500001 0.500001 As\n","nsites":4,"nelements":3,"elements":["Mn","Ga","As"],"chemical_system":"As-Ga-Mn","density":7.036859139081684,"density_atomic":0.06659883918825914,"volume":60.06110690147238,"volume_molar":9.042410999051855,"formula_full":"Mn2 Ga1 As1","formula_reduced":"Mn2GaAs","formula_anonymous":"ABC2","energy_above_hull":2.667579639439655,"spacegroup":216},{"id":"jvasp-21649","created_at":"2022-09-04T14:37:55.414014Z","updated_at":"2022-09-04T14:37:55.414035Z","structure_string":"Lu1 Al8 Fe4\n1.0\n4.656247 -0.000000 1.903309\n2.328124 6.112945 0.951655\n0.015143 -0.000000 6.610119\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n-0.000001 0.338277 0.661724 Al\n0.280080 0.219920 0.219921 Al\n0.500000 0.780079 0.219921 Al\n0.500000 0.219920 0.780080 Al\n0.719920 0.780079 0.780081 Al\n-0.000001 0.661722 0.338278 Al\n0.338276 0.661722 0.661724 Al\n0.661723 0.338277 0.338277 Al\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n","nsites":13,"nelements":3,"elements":["Lu","Al","Fe"],"chemical_system":"Al-Fe-Lu","density":5.425871718189283,"density_atomic":0.06915991537030863,"volume":187.97015482730174,"volume_molar":8.707559469607729,"formula_full":"Lu1 Al8 Fe4","formula_reduced":"Lu(Al2Fe)4","formula_anonymous":"AB4C8","energy_above_hull":2.667683088461539,"spacegroup":139},{"id":"jvasp-108945","created_at":"2022-09-04T14:38:27.738990Z","updated_at":"2022-09-04T14:38:27.739015Z","structure_string":"Ce1 U1 O4\n1.0\n3.699158 -0.001682 5.510815\n1.676834 3.297271 5.510815\n-0.002743 -0.001682 6.637231\nCe U O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 U\n0.619002 0.619002 0.619002 O\n0.130213 0.130214 0.130214 O\n0.869787 0.869787 0.869787 O\n0.380998 0.380999 0.380998 O\n","nsites":6,"nelements":3,"elements":["Ce","U","O"],"chemical_system":"Ce-O-U","density":9.05938376623748,"density_atomic":0.07403524839716688,"volume":81.0424781424736,"volume_molar":8.13415351521999,"formula_full":"Ce1 U1 O4","formula_reduced":"CeUO4","formula_anonymous":"ABC4","energy_above_hull":2.66788925,"spacegroup":166},{"id":"jvasp-79610","created_at":"2022-09-04T14:36:41.676488Z","updated_at":"2022-09-04T14:36:41.676514Z","structure_string":"Sr2 U1 Mn1\n1.0\n-3.762930 -3.762930 0.000000\n-3.762930 -0.000000 -3.762930\n-0.000000 -3.762930 -3.762930\nSr U Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Mn\n","nsites":4,"nelements":3,"elements":["Sr","U","Mn"],"chemical_system":"Mn-Sr-U","density":7.295894479939152,"density_atomic":0.037536310022121926,"volume":106.5634847336515,"volume_molar":16.043507623554014,"formula_full":"Sr2 U1 Mn1","formula_reduced":"Sr2UMn","formula_anonymous":"ABC2","energy_above_hull":2.668018965344828,"spacegroup":225},{"id":"jvasp-95478","created_at":"2022-09-04T14:36:16.543646Z","updated_at":"2022-09-04T14:36:16.543659Z","structure_string":"Ba6 Zr2 Ru4 O18\n1.0\n5.838544 0.000000 -0.000000\n-2.919271 5.056327 -0.000000\n0.000000 0.000000 14.381409\nBa Zr Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.907054 Ba\n0.666667 0.333333 0.092947 Ba\n0.666667 0.333333 0.407053 Ba\n0.333333 0.666667 0.592947 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.662945 Ru\n0.333333 0.666667 0.162945 Ru\n0.666667 0.333333 0.837055 Ru\n0.333333 0.666667 0.337055 Ru\n0.829667 0.170333 0.583233 O\n0.829667 0.659336 0.583233 O\n0.489952 0.979904 0.250000 O\n0.510048 0.489952 0.750000 O\n0.659335 0.829668 0.083233 O\n0.979903 0.489952 0.750000 O\n0.020096 0.510049 0.250000 O\n0.170333 0.340665 0.416767 O\n0.489951 0.510049 0.250000 O\n0.170333 0.340665 0.083233 O\n0.510048 0.020096 0.750000 O\n0.829667 0.659336 0.916767 O\n0.340665 0.170333 0.916767 O\n0.829667 0.170333 0.916767 O\n0.340665 0.170333 0.583233 O\n0.659335 0.829668 0.416767 O\n0.170333 0.829668 0.083233 O\n0.170333 0.829668 0.416767 O\n","nsites":30,"nelements":4,"elements":["Ba","Zr","Ru","O"],"chemical_system":"Ba-O-Ru-Zr","density":6.643842351927816,"density_atomic":0.07066105332493401,"volume":424.5620265812534,"volume_molar":8.522574284743898,"formula_full":"Ba6 Zr2 Ru4 O18","formula_reduced":"Ba3ZrRu2O9","formula_anonymous":"AB2C3D9","energy_above_hull":2.668226327333333,"spacegroup":194},{"id":"jvasp-97754","created_at":"2022-09-04T14:35:52.350972Z","updated_at":"2022-09-04T14:35:52.350994Z","structure_string":"Hf2 Cl8 O32\n1.0\n7.075939 0.017120 1.935448\n2.906866 6.451305 1.935448\n0.023764 0.015398 12.946848\nHf Cl O\n2 8 32\ndirect\n0.398453 0.354144 0.589435 Hf\n0.354144 0.398453 0.089435 Hf\n0.712562 0.153798 0.420978 Cl\n0.393820 0.986984 0.184661 Cl\n0.765650 0.358709 -0.005751 Cl\n0.598904 0.039976 0.757847 Cl\n0.358709 0.765651 0.494249 Cl\n0.153798 0.712563 0.920978 Cl\n0.986983 0.393820 0.684661 Cl\n0.039976 0.598905 0.257847 Cl\n0.913405 0.814339 0.234362 O\n0.194366 0.481493 0.951112 O\n0.565092 0.798093 0.164014 O\n0.629733 0.432759 0.100232 O\n0.187424 0.954499 0.514954 O\n0.271054 0.558294 0.227743 O\n0.484919 0.034626 0.674457 O\n0.839171 0.938370 0.444436 O\n0.786377 0.529058 0.916488 O\n0.253236 0.757072 0.813424 O\n0.122839 0.319868 0.578644 O\n0.481492 0.194367 0.451112 O\n0.814338 0.913406 0.734362 O\n-0.004594 0.499509 0.365403 O\n0.529057 0.786378 0.416487 O\n0.717934 0.267759 0.504370 O\n0.289275 0.621319 0.461998 O\n0.954498 0.187424 0.014954 O\n0.757071 0.253237 0.313424 O\n0.966334 0.223409 0.762397 O\n0.938369 0.839171 0.944436 O\n0.432758 0.629733 0.600232 O\n0.558293 0.271054 0.727743 O\n0.499508 -0.004593 0.865403 O\n0.267759 0.717935 0.004370 O\n0.319867 0.122839 0.078644 O\n0.034626 0.484920 0.174457 O\n0.798092 0.565092 0.664014 O\n0.223408 0.966335 0.262397 O\n0.621318 0.289275 0.961998 O\n0.463246 0.131331 0.216902 O\n0.131330 0.463247 0.716902 O\n","nsites":42,"nelements":3,"elements":["Hf","Cl","O"],"chemical_system":"Cl-Hf-O","density":3.2442118552538313,"density_atomic":0.0711928718028156,"volume":589.9467030397128,"volume_molar":8.45890973000731,"formula_full":"Hf2 Cl8 O32","formula_reduced":"Hf(ClO4)4","formula_anonymous":"AB4C16","energy_above_hull":2.668237393809524,"spacegroup":15},{"id":"jvasp-58257","created_at":"2022-09-04T14:37:16.987516Z","updated_at":"2022-09-04T14:37:16.987537Z","structure_string":"Fe2 Rh4 S8\n1.0\n6.019812 -0.000000 3.475540\n2.006604 5.675533 3.475540\n-0.000000 -0.000000 6.951080\nFe Rh S\n2 4 8\ndirect\n0.874999 0.875000 0.875001 Fe\n0.125000 0.125000 0.125000 Fe\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.743059 0.743059 0.743060 S\n0.256940 0.256940 0.729180 S\n0.256940 0.729180 0.256941 S\n0.729180 0.256940 0.256940 S\n0.743059 0.270820 0.743060 S\n0.270819 0.743059 0.743060 S\n0.256940 0.256940 0.256940 S\n0.743059 0.743059 0.270820 S\n","nsites":14,"nelements":3,"elements":["Fe","Rh","S"],"chemical_system":"Fe-Rh-S","density":5.452658282358876,"density_atomic":0.05895032005027966,"volume":237.48810842857475,"volume_molar":10.215620127021568,"formula_full":"Fe2 Rh4 S8","formula_reduced":"Fe(RhS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.668320214285714,"spacegroup":227}]}