{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=91","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=89","results":[{"id":"jvasp-18996","created_at":"2022-09-04T14:36:47.895673Z","updated_at":"2022-09-04T14:36:47.895682Z","structure_string":"As8 O12\n1.0\n6.727915 -0.000000 3.884364\n2.242639 6.343140 3.884364\n0.000000 0.000000 7.768728\nAs O\n8 12\ndirect\n0.768688 0.768688 0.768687 As\n0.806063 0.231312 0.231312 As\n0.231313 0.806062 0.231312 As\n0.193938 0.768688 0.768687 As\n0.768688 0.193938 0.768687 As\n0.768688 0.768688 0.193937 As\n0.231312 0.231312 0.231312 As\n0.231312 0.231312 0.806062 As\n0.054172 0.695828 0.695828 O\n0.695828 0.695828 0.054171 O\n0.945828 0.304172 0.304171 O\n0.054172 0.695828 0.054172 O\n0.695828 0.054172 0.695827 O\n0.945828 0.304172 0.945827 O\n0.945829 0.945828 0.304171 O\n0.304172 0.304172 0.945828 O\n0.304173 0.945828 0.304172 O\n0.695828 0.054172 0.054172 O\n0.304173 0.945828 0.945827 O\n0.054172 0.054172 0.695828 O\n","nsites":20,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":3.9636158499905143,"density_atomic":0.06032471609950873,"volume":331.5390654637971,"volume_molar":9.982874598309204,"formula_full":"As8 O12","formula_reduced":"As2O3","formula_anonymous":"A2B3","energy_above_hull":2.2751488,"spacegroup":227},{"id":"jvasp-14734","created_at":"2022-09-04T14:36:47.951562Z","updated_at":"2022-09-04T14:36:47.951581Z","structure_string":"Er2 Fe4\n1.0\n4.379872 0.000000 2.528720\n1.459957 4.129382 2.528720\n-0.000000 -0.000000 5.057440\nEr Fe\n2 4\ndirect\n0.125000 0.125000 0.125000 Er\n0.875000 0.875000 0.875000 Er\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n","nsites":6,"nelements":2,"elements":["Er","Fe"],"chemical_system":"Er-Fe","density":10.128069757138016,"density_atomic":0.06559549780676245,"volume":91.46969229009252,"volume_molar":9.180722704080399,"formula_full":"Er2 Fe4","formula_reduced":"ErFe2","formula_anonymous":"AB2","energy_above_hull":2.376577,"spacegroup":227},{"id":"jvasp-18909","created_at":"2022-09-04T14:36:48.779534Z","updated_at":"2022-09-04T14:36:48.779566Z","structure_string":"Ce2 Ru4\n1.0\n4.631831 -0.000000 2.674189\n1.543944 4.366932 2.674189\n-0.000000 -0.000000 5.348377\nCe Ru\n2 4\ndirect\n0.125000 0.125000 0.125000 Ce\n0.874999 0.875000 0.875001 Ce\n0.500000 0.000000 0.500000 Ru\n-0.000000 0.500000 0.500001 Ru\n0.500000 0.500000 0.500001 Ru\n0.500000 0.500000 0.000000 Ru\n","nsites":6,"nelements":2,"elements":["Ce","Ru"],"chemical_system":"Ce-Ru","density":10.507006879414826,"density_atomic":0.055462584512169955,"volume":108.18103867271893,"volume_molar":10.858024040835284,"formula_full":"Ce2 Ru4","formula_reduced":"CeRu2","formula_anonymous":"AB2","energy_above_hull":3.2105688333333333,"spacegroup":227},{"id":"jvasp-58501","created_at":"2022-09-04T14:36:48.426371Z","updated_at":"2022-09-04T14:36:48.426402Z","structure_string":"Mn4 Al2 O8\n1.0\n5.176585 0.042849 2.918870\n1.724913 4.880936 2.918870\n0.060059 0.042849 5.942493\nMn Al O\n4 2 8\ndirect\n-0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.624993 0.624995 0.624994 Al\n0.375005 0.375007 0.375006 Al\n0.249943 0.750011 0.750009 O\n0.249990 0.249991 0.750056 O\n0.249989 0.750057 0.249990 O\n0.249983 0.249984 0.249983 O\n0.750008 0.750011 0.249944 O\n0.750056 0.249991 0.249990 O\n0.750009 0.249944 0.750010 O\n0.750015 0.750018 0.750017 O\n","nsites":14,"nelements":3,"elements":["Mn","Al","O"],"chemical_system":"Al-Mn-O","density":4.49415551188589,"density_atomic":0.09432219465498992,"volume":148.42741998539108,"volume_molar":6.3846486842547305,"formula_full":"Mn4 Al2 O8","formula_reduced":"Mn2AlO4","formula_anonymous":"AB2C4","energy_above_hull":2.922865897536945,"spacegroup":227},{"id":"jvasp-59602","created_at":"2022-09-04T14:36:48.962201Z","updated_at":"2022-09-04T14:36:48.962229Z","structure_string":"Y4 Mo4 O14\n1.0\n6.311961 -0.000000 3.644212\n2.103987 5.950973 3.644212\n-0.000000 -0.000000 7.288424\nY Mo O\n4 4 14\ndirect\n0.499999 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.500000 0.500000 0.499999 Y\n0.000000 0.500000 -0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.499999 0.000000 -0.000000 Mo\n0.662791 0.087210 0.087209 O\n0.662791 0.087210 0.662790 O\n0.087211 0.662789 0.087210 O\n0.625000 0.625000 0.624999 O\n0.912791 0.337210 0.337209 O\n0.337211 0.912789 0.337209 O\n0.337210 0.337210 0.912789 O\n0.912791 0.912789 0.337209 O\n0.912791 0.337210 0.912790 O\n0.087211 0.662789 0.662791 O\n0.337211 0.912789 0.912790 O\n0.374999 0.375000 0.375000 O\n0.662790 0.662789 0.087210 O\n0.087210 0.087210 0.662789 O\n","nsites":22,"nelements":3,"elements":["Y","Mo","O"],"chemical_system":"Mo-O-Y","density":5.843304969230655,"density_atomic":0.08035941465062435,"volume":273.77003796815325,"volume_molar":7.494007747794379,"formula_full":"Y4 Mo4 O14","formula_reduced":"Y2Mo2O7","formula_anonymous":"A2B2C7","energy_above_hull":3.553166109090909,"spacegroup":227},{"id":"jvasp-18756","created_at":"2022-09-04T14:36:49.399076Z","updated_at":"2022-09-04T14:36:49.399109Z","structure_string":"Pu2 Ni4\n1.0\n4.234936 -0.000000 2.445042\n1.411645 3.992736 2.445042\n-0.000000 0.000000 4.890083\nPu Ni\n2 4\ndirect\n0.875001 0.875001 0.874998 Pu\n0.125000 0.125000 0.125000 Pu\n0.500001 0.500001 0.499999 Ni\n0.500001 0.500001 -0.000001 Ni\n0.000000 0.500001 0.499999 Ni\n0.500000 0.000000 0.499999 Ni\n","nsites":6,"nelements":2,"elements":["Pu","Ni"],"chemical_system":"Ni-Pu","density":14.515022088012506,"density_atomic":0.07256339150632615,"volume":82.6863226131997,"volume_molar":8.299144561724328,"formula_full":"Pu2 Ni4","formula_reduced":"PuNi2","formula_anonymous":"AB2","energy_above_hull":2.9816016000000003,"spacegroup":227},{"id":"jvasp-59673","created_at":"2022-09-04T14:36:49.547598Z","updated_at":"2022-09-04T14:36:49.547618Z","structure_string":"Y4 Ru4 O14\n1.0\n6.230608 -0.000000 3.597243\n2.076870 5.874274 3.597243\n0.000000 0.000000 7.194487\nY Ru O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 -0.000000 Ru\n-0.000000 -0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 -0.000000 Ru\n0.084500 0.665499 0.084500 O\n0.665500 0.084500 0.665500 O\n0.665500 0.084500 0.084500 O\n0.625000 0.625000 0.625000 O\n0.915500 0.334500 0.334500 O\n0.334501 0.915499 0.334500 O\n0.334500 0.334500 0.915500 O\n0.915500 0.915499 0.334500 O\n0.915500 0.334500 0.915500 O\n0.084500 0.665499 0.665500 O\n0.334501 0.915499 0.915500 O\n0.375000 0.375000 0.375000 O\n0.665500 0.665499 0.084500 O\n0.084500 0.084500 0.665500 O\n","nsites":22,"nelements":3,"elements":["Y","Ru","O"],"chemical_system":"O-Ru-Y","density":6.204594314290982,"density_atomic":0.08354841597019062,"volume":263.3203723197986,"volume_molar":7.207965214024704,"formula_full":"Y4 Ru4 O14","formula_reduced":"Y2Ru2O7","formula_anonymous":"A2B2C7","energy_above_hull":3.2671278545454543,"spacegroup":227},{"id":"jvasp-19866","created_at":"2022-09-04T14:36:49.720305Z","updated_at":"2022-09-04T14:36:49.720323Z","structure_string":"Tm2 Al4\n1.0\n4.775874 0.000000 2.757352\n1.591958 4.502737 2.757352\n0.000000 0.000000 5.514704\nTm Al\n2 4\ndirect\n0.874999 0.875001 0.874999 Tm\n0.125000 0.125000 0.125000 Tm\n0.500000 0.500000 0.499999 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.500000 0.499999 Al\n0.500000 0.000000 0.500000 Al\n","nsites":6,"nelements":2,"elements":["Tm","Al"],"chemical_system":"Al-Tm","density":6.242121643514444,"density_atomic":0.050594068232263104,"volume":118.59097735441419,"volume_molar":11.902859308237577,"formula_full":"Tm2 Al4","formula_reduced":"TmAl2","formula_anonymous":"AB2","energy_above_hull":1.2259366166666663,"spacegroup":227},{"id":"jvasp-20932","created_at":"2022-09-04T14:36:49.879103Z","updated_at":"2022-09-04T14:36:49.879136Z","structure_string":"Cr4 Cu2 Se8\n1.0\n6.361038 -0.000000 3.672547\n2.120346 5.997244 3.672547\n0.000000 0.000000 7.345095\nCr Cu Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.875001 0.874999 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.257679 0.257679 0.257679 Se\n0.742322 0.742321 0.273038 Se\n0.273038 0.742321 0.742321 Se\n0.742322 0.273037 0.742321 Se\n0.726963 0.257679 0.257679 Se\n0.257680 0.726962 0.257679 Se\n0.257679 0.257679 0.726962 Se\n0.742322 0.742321 0.742321 Se\n","nsites":14,"nelements":3,"elements":["Cr","Cu","Se"],"chemical_system":"Cr-Cu-Se","density":5.72913462313513,"density_atomic":0.04996327637821201,"volume":280.20580343896586,"volume_molar":12.053134214845318,"formula_full":"Cr4 Cu2 Se8","formula_reduced":"Cr2CuSe4","formula_anonymous":"AB2C4","energy_above_hull":2.3312098166666675,"spacegroup":227},{"id":"jvasp-9730","created_at":"2022-09-04T14:36:50.535815Z","updated_at":"2022-09-04T14:36:50.535838Z","structure_string":"Mg4 Si2 O8\n1.0\n4.974202 -0.000000 2.871856\n1.658068 4.689722 2.871856\n0.000000 -0.000000 5.743713\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000001 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.875000 0.875000 0.875001 Si\n0.125000 0.125000 0.125000 Si\n0.755474 0.755474 0.755475 O\n0.244526 0.244526 0.766421 O\n0.244526 0.766421 0.244526 O\n0.766421 0.244526 0.244527 O\n0.755474 0.233579 0.755474 O\n0.233579 0.755474 0.755474 O\n0.244526 0.244526 0.244526 O\n0.755474 0.755474 0.233580 O\n","nsites":14,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.4872946539793013,"density_atomic":0.10448760813132582,"volume":133.98718039754556,"volume_molar":5.763497574210944,"formula_full":"Mg4 Si2 O8","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy_above_hull":1.374915814285714,"spacegroup":227},{"id":"jvasp-57504","created_at":"2022-09-04T14:36:50.726977Z","updated_at":"2022-09-04T14:36:50.726996Z","structure_string":"Ti4 Bi4 O14\n1.0\n6.366262 0.000000 3.675562\n2.122087 6.002169 3.675562\n0.000000 0.000000 7.351126\nTi Bi O\n4 4 14\ndirect\n-0.000000 -0.000000 0.500000 Ti\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.926386 0.323614 0.926386 O\n0.323614 0.926386 0.926386 O\n0.073614 0.676386 0.073613 O\n0.926386 0.926386 0.323613 O\n0.926386 0.323614 0.323614 O\n0.676386 0.073614 0.073614 O\n0.375000 0.375000 0.375000 O\n0.676386 0.073614 0.676386 O\n0.323614 0.323614 0.926386 O\n0.323614 0.926386 0.323613 O\n0.073614 0.676386 0.676386 O\n0.676386 0.676386 0.073613 O\n0.073614 0.073614 0.676386 O\n0.625000 0.625000 0.625000 O\n","nsites":22,"nelements":3,"elements":["Ti","Bi","O"],"chemical_system":"Bi-O-Ti","density":7.397621887578424,"density_atomic":0.07832061460219232,"volume":280.8966721180988,"volume_molar":7.689087720503449,"formula_full":"Ti4 Bi4 O14","formula_reduced":"Ti2Bi2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.6781990696969697,"spacegroup":227},{"id":"jvasp-19015","created_at":"2022-09-04T14:36:51.002055Z","updated_at":"2022-09-04T14:36:51.002075Z","structure_string":"Sm4 Sn4 O14\n1.0\n6.493998 -0.000000 3.749311\n2.164666 6.122599 3.749311\n-0.000000 0.000000 7.498622\nSm Sn O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Sm\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 -0.000000 Sn\n0.086176 0.663825 0.086175 O\n0.663825 0.086175 0.663824 O\n0.663825 0.086175 0.086175 O\n0.625001 0.625000 0.624999 O\n0.913825 0.336176 0.336175 O\n0.336176 0.913825 0.336175 O\n0.336176 0.336176 0.913824 O\n0.913825 0.913825 0.336175 O\n0.913825 0.336176 0.913824 O\n0.086176 0.663825 0.663824 O\n0.336176 0.913825 0.913824 O\n0.375000 0.375000 0.375000 O\n0.663825 0.663825 0.086175 O\n0.086176 0.086175 0.663824 O\n","nsites":22,"nelements":3,"elements":["Sm","Sn","O"],"chemical_system":"O-Sm-Sn","density":7.241920384199446,"density_atomic":0.07378927654126574,"volume":298.1463029752944,"volume_molar":8.161268198140135,"formula_full":"Sm4 Sn4 O14","formula_reduced":"Sm2Sn2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.0333523318181816,"spacegroup":227}]}