{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=120","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=118","results":[{"id":"jvasp-57946","created_at":"2022-09-04T14:37:02.576172Z","updated_at":"2022-09-04T14:37:02.576206Z","structure_string":"Y1 Ti4 Cu3 O12\n1.0\n6.091047 0.000025 -2.153567\n-3.045487 5.275045 -2.153524\n-0.000038 -0.000010 6.460600\nY Ti Cu O\n1 4 3 12\ndirect\n-0.000002 -0.000002 0.999997 Y\n0.500001 0.000003 0.999998 Ti\n0.999997 0.999999 0.499998 Ti\n0.000003 0.500002 0.000001 Ti\n0.499999 0.499998 0.500000 Ti\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000001 0.500001 0.500001 Cu\n0.704208 0.528311 0.824102 O\n0.175898 0.295783 0.471685 O\n0.528310 0.824099 0.704210 O\n0.704208 0.880105 0.175896 O\n0.119892 0.824101 0.295792 O\n0.175899 0.704215 0.880115 O\n0.295793 0.471689 0.175899 O\n0.824102 0.704217 0.528317 O\n0.880107 0.175898 0.704209 O\n0.824102 0.295786 0.119886 O\n0.471690 0.175900 0.295791 O\n0.295792 0.119895 0.824103 O\n","nsites":20,"nelements":4,"elements":["Y","Ti","Cu","O"],"chemical_system":"Cu-O-Ti-Y","density":5.303651571735334,"density_atomic":0.09634724678936407,"volume":207.58247554000508,"volume_molar":6.250454435055838,"formula_full":"Y1 Ti4 Cu3 O12","formula_reduced":"YTi4(CuO4)3","formula_anonymous":"AB3C4D12","energy_above_hull":2.7701076066666674,"spacegroup":204},{"id":"jvasp-111758","created_at":"2022-09-04T14:38:41.975009Z","updated_at":"2022-09-04T14:38:41.975046Z","structure_string":"Y1 Th1 B8 Rh8\n1.0\n5.356493 0.000000 -0.000000\n0.000000 5.356493 0.000000\n0.000000 0.000000 7.553608\nY Th B Rh\n1 1 8 8\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Th\n0.000000 0.333980 0.848663 B\n0.832694 0.500000 0.350652 B\n0.167305 0.500000 0.350652 B\n0.000000 0.666020 0.848663 B\n0.500000 0.832694 0.649349 B\n0.666020 0.000000 0.151338 B\n0.333980 0.000000 0.151338 B\n0.500000 0.167305 0.649349 B\n0.000000 0.248824 0.147403 Rh\n0.751176 0.000000 0.852597 Rh\n0.248824 0.000000 0.852597 Rh\n0.500000 0.250074 0.357658 Rh\n0.500000 0.749926 0.357658 Rh\n0.749926 0.500000 0.642342 Rh\n0.250074 0.500000 0.642342 Rh\n0.000000 0.751176 0.147403 Rh\n","nsites":18,"nelements":4,"elements":["Y","Th","B","Rh"],"chemical_system":"B-Rh-Th-Y","density":9.429252607667694,"density_atomic":0.08305331634570765,"volume":216.72825110409062,"volume_molar":7.250933526763662,"formula_full":"Y1 Th1 B8 Rh8","formula_reduced":"YTh(BRh)8","formula_anonymous":"ABC8D8","energy_above_hull":4.526217539814814,"spacegroup":115},{"id":"jvasp-119122","created_at":"2022-09-04T14:38:51.164954Z","updated_at":"2022-09-04T14:38:51.164980Z","structure_string":"Y3 Sn4 Bi1 O14\n1.0\n6.449330 -0.000156 3.690000\n2.139972 6.083944 3.690000\n-0.000220 -0.000156 7.430340\nY Sn Bi O\n3 4 1 14\ndirect\n0.000000 0.499999 0.500000 Y\n0.500000 0.499999 0.000000 Y\n0.500000 -0.000001 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.500000 0.499999 0.500000 Bi\n0.087905 0.087905 0.662472 O\n0.662621 0.662620 0.081447 O\n0.662472 0.087905 0.087905 O\n0.081447 0.662620 0.662621 O\n0.337380 0.918552 0.337380 O\n0.912095 0.337527 0.912095 O\n0.918553 0.337379 0.337380 O\n0.337380 0.337379 0.918553 O\n0.337529 0.912093 0.912095 O\n0.087905 0.662471 0.087905 O\n0.629873 0.629871 0.629873 O\n0.370128 0.370127 0.370128 O\n0.912095 0.912093 0.337529 O\n0.662621 0.081446 0.662621 O\n","nsites":22,"nelements":4,"elements":["Y","Sn","Bi","O"],"chemical_system":"Bi-O-Sn-Y","density":6.689440628510044,"density_atomic":0.07545698342441721,"volume":291.5568447291122,"volume_molar":7.980892538637171,"formula_full":"Y3 Sn4 Bi1 O14","formula_reduced":"Y3Sn4BiO14","formula_anonymous":"AB3C4D14","energy_above_hull":2.4867493840909094,"spacegroup":166},{"id":"jvasp-97974","created_at":"2022-09-04T14:36:07.189061Z","updated_at":"2022-09-04T14:36:07.189081Z","structure_string":"Y16 Si8 S12 O28\n1.0\n-5.852067 -5.852067 -6.822206\n-5.852067 5.852067 6.822206\n-5.852067 5.852067 -6.822206\nY Si S O\n16 8 12 28\ndirect\n0.985560 0.644318 0.841242 Y\n0.594166 0.297083 0.452918 Y\n0.094166 0.047083 0.202917 Y\n0.750000 0.047083 0.547083 Y\n0.250000 0.952918 0.452917 Y\n0.905835 0.952918 0.797083 Y\n0.750000 0.702918 0.202917 Y\n0.405835 0.702918 0.547083 Y\n0.250000 0.297083 0.797083 Y\n0.985560 0.341242 0.673199 Y\n0.514441 0.341242 0.144318 Y\n0.014441 0.355683 0.158758 Y\n0.514441 0.173199 0.841242 Y\n0.014441 0.658759 0.326801 Y\n0.485559 0.658758 0.855683 Y\n0.485559 0.826801 0.158758 Y\n0.374991 0.470898 0.404093 Si\n0.874991 0.095907 0.029102 Si\n0.625010 0.095907 0.279084 Si\n0.125009 0.220917 0.404093 Si\n0.125009 0.904093 0.970899 Si\n0.374991 0.904093 0.720917 Si\n0.874991 0.779084 0.595908 Si\n0.625010 0.529102 0.595908 Si\n0.750000 0.375000 0.875001 S\n0.750000 0.875000 0.375000 S\n0.250000 0.125000 0.625000 S\n0.250000 0.625000 0.125000 S\n0.853823 0.353823 0.500000 S\n0.353823 0.353823 -0.000000 S\n0.146177 0.500000 0.853823 S\n0.853823 0.500000 0.146177 S\n0.646177 0.646177 -0.000000 S\n0.146177 0.646177 0.500000 S\n0.353823 -0.000000 0.146177 S\n0.646177 -0.000000 0.853823 S\n0.767660 0.917884 0.067580 O\n0.982907 0.809008 0.673900 O\n0.482907 0.826101 0.690993 O\n0.017093 0.826101 0.156806 O\n0.517093 0.343194 0.673900 O\n0.517093 0.173899 0.309007 O\n0.485464 0.917884 0.349777 O\n0.982907 0.173899 0.843194 O\n0.482907 0.656806 0.326101 O\n0.750000 0.600204 0.649797 O\n0.250000 0.850204 0.899797 O\n0.017093 0.190993 0.326101 O\n0.267660 0.432420 0.582117 O\n0.732340 0.164760 0.349777 O\n0.014536 0.164760 0.067580 O\n0.985464 0.150224 0.582117 O\n0.232340 0.150224 0.335240 O\n0.232340 0.082116 0.932420 O\n0.514537 0.082116 0.650224 O\n0.732340 0.567580 0.417884 O\n0.485464 0.567580 0.664760 O\n0.985464 0.835240 0.932420 O\n0.267660 0.835240 0.650224 O\n0.014536 0.849777 0.417884 O\n0.767660 0.849777 0.664760 O\n0.250000 0.399797 0.350204 O\n0.514537 0.432420 0.335240 O\n0.750000 0.149797 0.100203 O\n","nsites":64,"nelements":4,"elements":["Y","Si","S","O"],"chemical_system":"O-S-Si-Y","density":4.406431380285309,"density_atomic":0.06848202190769598,"volume":934.551846121934,"volume_molar":8.793754320100229,"formula_full":"Y16 Si8 S12 O28","formula_reduced":"Y4Si2S3O7","formula_anonymous":"A2B3C4D7","energy_above_hull":2.96179959375,"spacegroup":141},{"id":"jvasp-107711","created_at":"2022-09-04T14:37:02.478093Z","updated_at":"2022-09-04T14:37:02.478112Z","structure_string":"Y2 Si2 Ru4 C2\n1.0\n5.889930 -0.010613 0.000000\n-4.656549 3.606653 0.000000\n-0.000000 -0.000000 7.142093\nY Si Ru C\n2 2 4 2\ndirect\n0.547109 0.452891 0.250000 Y\n0.452890 0.547109 0.750000 Y\n0.269025 0.730974 0.250000 Si\n0.730974 0.269026 0.750000 Si\n0.836181 0.163820 0.056307 Ru\n0.163819 0.836180 0.943693 Ru\n0.163819 0.836180 0.556307 Ru\n0.836181 0.163820 0.443693 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Y","Si","Ru","C"],"chemical_system":"C-Ru-Si-Y","density":7.265490834073714,"density_atomic":0.06606501425657371,"volume":151.36604619751463,"volume_molar":9.115476364860958,"formula_full":"Y2 Si2 Ru4 C2","formula_reduced":"YSiRu2C","formula_anonymous":"ABCD2","energy_above_hull":4.36313301,"spacegroup":63},{"id":"jvasp-101345","created_at":"2022-09-04T14:37:46.882252Z","updated_at":"2022-09-04T14:37:46.882276Z","structure_string":"Y4 Si6 N8 O6\n1.0\n4.928519 -0.000000 0.000000\n0.000000 7.637133 0.000000\n0.000000 0.000000 7.637133\nY Si N O\n4 6 8 6\ndirect\n0.503316 0.330405 0.169595 Y\n0.496684 0.830405 0.330405 Y\n0.503316 0.669594 0.830405 Y\n0.496684 0.169595 0.669594 Y\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.945196 0.145388 0.354612 Si\n0.054805 0.354612 0.854612 Si\n0.054805 0.645387 0.145388 Si\n0.945196 0.854612 0.645387 Si\n0.791672 0.667513 0.576698 N\n0.791672 0.076698 0.167513 N\n0.208328 0.167513 0.923301 N\n0.208328 0.832487 0.076698 N\n0.791672 0.923301 0.832487 N\n0.208328 0.576698 0.332487 N\n0.208328 0.423302 0.667513 N\n0.791672 0.332487 0.423302 N\n0.719903 0.630981 0.130981 O\n0.280097 0.130981 0.369019 O\n0.719903 0.369019 0.869018 O\n0.280097 0.869018 0.630981 O\n0.184948 0.500000 0.000000 O\n0.815052 0.000000 0.500000 O\n","nsites":24,"nelements":4,"elements":["Y","Si","N","O"],"chemical_system":"N-O-Si-Y","density":4.229544634044182,"density_atomic":0.0834899303643519,"volume":287.459815755786,"volume_molar":7.213014472187537,"formula_full":"Y4 Si6 N8 O6","formula_reduced":"Y2Si3N4O3","formula_anonymous":"A2B3C3D4","energy_above_hull":4.190494183333333,"spacegroup":113},{"id":"jvasp-25777","created_at":"2022-09-04T14:38:14.088338Z","updated_at":"2022-09-04T14:38:14.088363Z","structure_string":"Y4 Si2 C2 O14\n1.0\n6.500488 -0.004220 0.011294\n-0.311998 6.610234 -0.004002\n-2.969164 -0.785802 5.925357\nY Si C O\n4 2 2 14\ndirect\n0.256512 0.668500 0.188368 Y\n0.251117 0.914203 0.701464 Y\n0.743488 0.331499 0.811632 Y\n0.748884 0.085796 0.298536 Y\n0.262921 0.158601 0.241201 Si\n0.737080 0.841399 0.758800 Si\n0.804903 0.588866 0.267009 C\n0.195098 0.411134 0.732991 C\n0.873447 0.666753 0.907971 O\n0.733905 0.402263 0.165465 O\n0.887575 0.967154 0.658804 O\n0.126553 0.333247 0.092029 O\n0.331875 0.983769 0.087716 O\n0.977368 0.353539 0.621627 O\n0.266095 0.597737 0.834535 O\n0.478694 0.751146 0.561448 O\n0.022633 0.646460 0.378373 O\n0.656017 0.715838 0.250401 O\n0.343984 0.284162 0.749600 O\n0.112425 0.032845 0.341197 O\n0.668125 0.016231 0.912285 O\n0.521307 0.248853 0.438552 O\n","nsites":22,"nelements":4,"elements":["Y","Si","C","O"],"chemical_system":"C-O-Si-Y","density":4.299862142978851,"density_atomic":0.08633977912590456,"volume":254.8072304877988,"volume_molar":6.9749318575603985,"formula_full":"Y4 Si2 C2 O14","formula_reduced":"Y2SiCO7","formula_anonymous":"ABC2D7","energy_above_hull":3.2258621818181816,"spacegroup":2},{"id":"jvasp-110959","created_at":"2022-09-04T14:38:38.537394Z","updated_at":"2022-09-04T14:38:38.537414Z","structure_string":"Y1 Si1 B1 Rh3\n1.0\n5.489533 -0.000000 0.000000\n-2.744766 4.754075 0.000000\n-0.000000 -0.000000 3.410868\nY Si B Rh\n1 1 1 3\ndirect\n0.333332 0.666666 -0.000000 Y\n0.000000 0.000000 0.000000 Si\n0.666666 0.333333 -0.000000 B\n0.346694 0.173347 0.500000 Rh\n0.826652 0.173347 0.500000 Rh\n0.826652 0.653305 0.500000 Rh\n","nsites":6,"nelements":4,"elements":["Y","Si","B","Rh"],"chemical_system":"B-Rh-Si-Y","density":8.143024814525642,"density_atomic":0.06740388186516062,"volume":89.01564470727092,"volume_molar":8.934412371155574,"formula_full":"Y1 Si1 B1 Rh3","formula_reduced":"YSiBRh3","formula_anonymous":"ABCD3","energy_above_hull":3.4184226055555555,"spacegroup":187},{"id":"jvasp-26816","created_at":"2022-09-04T14:38:28.214260Z","updated_at":"2022-09-04T14:38:28.214289Z","structure_string":"Y4 Se4 O12 F4\n1.0\n0.000000 6.632381 0.028630\n6.899237 0.000000 0.000000\n0.000000 -1.129472 -7.105696\nY Se O F\n4 4 12 4\ndirect\n0.139304 0.360030 0.323728 Y\n0.860696 0.860030 0.176272 Y\n0.860697 0.639970 0.676272 Y\n0.139304 0.139970 0.823729 Y\n0.644572 0.116785 0.708881 Se\n0.355428 0.883215 0.291120 Se\n0.644572 0.383215 0.208881 Se\n0.355429 0.616785 0.791120 Se\n0.512774 0.812137 0.137570 O\n0.177195 0.803638 0.783096 O\n0.487226 0.312137 0.362430 O\n0.824424 0.534800 0.352020 O\n0.822806 0.303638 0.716905 O\n0.175576 0.465201 0.647980 O\n0.177195 0.696362 0.283096 O\n0.822805 0.196362 0.216904 O\n0.824424 0.965201 0.852021 O\n0.512774 0.687864 0.637571 O\n0.175576 0.034800 0.147980 O\n0.487226 0.187863 0.862430 O\n0.169718 0.389197 0.022963 F\n0.830282 0.889197 0.477037 F\n0.830282 0.610804 0.977038 F\n0.169719 0.110804 0.522963 F\n","nsites":24,"nelements":4,"elements":["Y","Se","O","F"],"chemical_system":"F-O-Se-Y","density":4.801131735944715,"density_atomic":0.07386389115130124,"volume":324.9219561265586,"volume_molar":8.153023982536167,"formula_full":"Y4 Se4 O12 F4","formula_reduced":"YSeO3F","formula_anonymous":"ABCD3","energy_above_hull":1.6780199331944443,"spacegroup":14},{"id":"jvasp-110130","created_at":"2022-09-04T14:38:20.578021Z","updated_at":"2022-09-04T14:38:20.578042Z","structure_string":"Y1 Sc1 B2 O6\n1.0\n4.456275 -0.013055 4.031303\n1.781199 4.084836 4.031303\n-0.019999 -0.013055 6.009110\nY Sc B O\n1 1 2 6\ndirect\n0.500000 0.499999 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.745109 0.745109 0.745110 B\n0.254890 0.254890 0.254890 B\n0.019710 0.454358 0.765283 O\n0.454358 0.765283 0.019710 O\n0.765283 0.019709 0.454359 O\n0.545642 0.234715 0.980290 O\n0.234717 0.980290 0.545641 O\n0.980289 0.545641 0.234717 O\n","nsites":10,"nelements":4,"elements":["Y","Sc","B","O"],"chemical_system":"B-O-Sc-Y","density":3.7964469691088394,"density_atomic":0.09091269013795879,"volume":109.99564510548674,"volume_molar":6.624092578122462,"formula_full":"Y1 Sc1 B2 O6","formula_reduced":"YSc(BO3)2","formula_anonymous":"ABC2D6","energy_above_hull":3.1359856866666678,"spacegroup":148},{"id":"jvasp-87161","created_at":"2022-09-04T14:35:54.061830Z","updated_at":"2022-09-04T14:35:54.061862Z","structure_string":"Y12 Sc8 Al12 O48\n1.0\n10.124282 -0.000000 -3.579474\n-5.062141 8.767885 -3.579474\n0.000000 0.000000 10.738422\nY Sc Al O\n12 8 12 48\ndirect\n0.875000 0.625000 0.250000 Y\n0.250000 0.375000 0.125000 Y\n0.750000 0.125000 0.375000 Y\n0.125000 0.375000 0.750000 Y\n0.375000 0.125000 0.250000 Y\n0.125000 0.250000 0.375000 Y\n0.625000 0.250000 0.875000 Y\n0.625000 0.875000 0.750000 Y\n0.250000 0.875000 0.625000 Y\n0.750000 0.625000 0.875000 Y\n0.875000 0.750000 0.625000 Y\n0.375000 0.750000 0.125000 Y\n-0.000000 0.500000 0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 -0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.250000 0.625000 0.375000 Al\n0.125000 0.750000 0.875000 Al\n0.750000 0.875000 0.125000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.375000 0.250000 0.625000 Al\n0.750000 0.375000 0.625000 Al\n0.525985 0.400554 0.812068 O\n0.474015 0.374569 0.286082 O\n0.687932 0.088486 0.713918 O\n0.088486 0.713917 0.687932 O\n0.974015 0.786082 0.874569 O\n0.812068 0.525985 0.400554 O\n0.411514 0.099446 0.625431 O\n0.874569 0.974015 0.786083 O\n0.286082 0.474015 0.374569 O\n0.400554 0.088486 0.874569 O\n0.374569 0.588485 0.900554 O\n0.474015 0.599446 0.187932 O\n0.125431 0.025985 0.213918 O\n0.588485 0.900553 0.374569 O\n0.187932 0.474015 0.599446 O\n0.025985 0.213918 0.125431 O\n0.911514 0.286082 0.312068 O\n0.900554 0.025985 0.312068 O\n0.312068 0.911514 0.286082 O\n0.187932 0.213918 0.588486 O\n0.599446 0.187932 0.474015 O\n0.588486 0.187932 0.213918 O\n0.213918 0.125431 0.025985 O\n0.213918 0.588485 0.187932 O\n0.125431 0.599446 0.911514 O\n0.025985 0.312068 0.900554 O\n0.900554 0.374569 0.588486 O\n0.099446 0.974015 0.687932 O\n0.599446 0.911514 0.125431 O\n0.911514 0.125431 0.599446 O\n0.088486 0.874569 0.400554 O\n0.525985 0.625431 0.713918 O\n0.625431 0.713917 0.525985 O\n0.687932 0.099446 0.974015 O\n0.713918 0.687932 0.088486 O\n0.812068 0.786082 0.411515 O\n0.400554 0.812068 0.525985 O\n0.099446 0.625431 0.411514 O\n0.411514 0.812068 0.786082 O\n0.786082 0.411514 0.812068 O\n0.874569 0.400554 0.088486 O\n0.974015 0.687932 0.099447 O\n0.713918 0.525985 0.625431 O\n0.286082 0.312068 0.911514 O\n0.312068 0.900553 0.025985 O\n0.374569 0.286082 0.474015 O\n0.786082 0.874569 0.974015 O\n0.625431 0.411514 0.099446 O\n","nsites":80,"nelements":4,"elements":["Y","Sc","Al","O"],"chemical_system":"Al-O-Sc-Y","density":4.386835547913751,"density_atomic":0.08392482449091816,"volume":953.2340458889743,"volume_molar":7.175637001959628,"formula_full":"Y12 Sc8 Al12 O48","formula_reduced":"Y3Sc2Al3O12","formula_anonymous":"A2B3C3D12","energy_above_hull":2.8454633625,"spacegroup":230},{"id":"jvasp-61588","created_at":"2022-09-04T14:35:52.176355Z","updated_at":"2022-09-04T14:35:52.176373Z","structure_string":"Y12 Sc8 Al12 O48\n1.0\n-6.200181 6.200181 6.200181\n6.200181 -6.200181 6.200181\n6.200181 6.200181 -6.200181\nY Sc Al O\n12 8 12 48\ndirect\n0.875000 0.625000 0.250000 Y\n0.250000 0.375000 0.125000 Y\n0.125000 0.250000 0.375000 Y\n0.375000 0.750000 0.125000 Y\n0.375000 0.125000 0.250000 Y\n0.750000 0.125000 0.375000 Y\n0.750000 0.625000 0.875000 Y\n0.250000 0.875000 0.625000 Y\n0.875000 0.750000 0.625000 Y\n0.625000 0.250000 0.875000 Y\n0.125000 0.375000 0.750000 Y\n0.625000 0.875000 0.750000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.250000 0.625000 0.375000 Al\n0.125000 0.875000 0.250000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.125000 0.750000 0.875000 Al\n0.625000 0.375000 0.250000 Al\n0.875000 0.125000 0.750000 Al\n0.250000 0.125000 0.875000 Al\n0.750000 0.375000 0.625000 Al\n0.375000 0.625000 0.750000 Al\n0.625000 0.750000 0.375000 Al\n0.875000 0.250000 0.125000 Al\n0.286079 0.474017 0.374567 O\n0.125433 0.599450 0.911514 O\n0.187938 0.213921 0.588486 O\n0.099450 0.625433 0.411514 O\n0.312062 0.900550 0.025983 O\n0.900550 0.025983 0.312062 O\n0.374567 0.286079 0.474017 O\n0.599450 0.911514 0.125433 O\n0.525983 0.400550 0.812062 O\n0.812062 0.525983 0.400550 O\n0.625433 0.411514 0.099450 O\n0.687938 0.088486 0.713921 O\n0.974017 0.786079 0.874567 O\n0.025983 0.312062 0.900550 O\n0.411514 0.099450 0.625433 O\n0.088486 0.713921 0.687938 O\n0.213921 0.588486 0.187938 O\n0.713921 0.687938 0.088486 O\n0.474017 0.374567 0.286079 O\n0.911514 0.125433 0.599450 O\n0.400550 0.812062 0.525983 O\n0.786079 0.874567 0.974017 O\n0.088486 0.874567 0.400550 O\n0.411514 0.812062 0.786079 O\n0.525983 0.625433 0.713921 O\n0.974017 0.687938 0.099450 O\n0.687938 0.099450 0.974017 O\n0.625433 0.713921 0.525983 O\n0.812062 0.786079 0.411514 O\n0.874567 0.400550 0.088486 O\n0.713921 0.525983 0.625433 O\n0.099450 0.974017 0.687938 O\n0.588486 0.187938 0.213921 O\n0.400550 0.088486 0.874567 O\n0.911514 0.286079 0.312062 O\n0.588486 0.900550 0.374567 O\n0.474017 0.599450 0.187938 O\n0.874567 0.974017 0.786079 O\n0.312062 0.911514 0.286079 O\n0.374567 0.588486 0.900550 O\n0.187938 0.474017 0.599450 O\n0.125433 0.025983 0.213921 O\n0.286079 0.312062 0.911514 O\n0.900550 0.374567 0.588486 O\n0.599450 0.187938 0.474017 O\n0.213921 0.125433 0.025983 O\n0.786079 0.411514 0.812062 O\n0.025983 0.213921 0.125433 O\n","nsites":80,"nelements":4,"elements":["Y","Sc","Al","O"],"chemical_system":"Al-O-Sc-Y","density":4.386092680098496,"density_atomic":0.083910612640409,"volume":953.3954941174419,"volume_molar":7.176852331906233,"formula_full":"Y12 Sc8 Al12 O48","formula_reduced":"Y3Sc2Al3O12","formula_anonymous":"A2B3C3D12","energy_above_hull":2.8454583625,"spacegroup":230}]}