{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4349","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=4347","results":[{"id":"jvasp-86651","created_at":"2022-09-04T14:36:09.247247Z","updated_at":"2022-09-04T14:36:09.247283Z","structure_string":"Y3 Ni4 B4 C3\n1.0\n3.544692 -0.000000 -0.487290\n-0.066987 3.544059 -0.487290\n-0.022881 -0.023318 12.969766\nY Ni B C\n3 4 4 3\ndirect\n0.700765 0.700766 0.401531 Y\n0.299234 0.299234 0.598469 Y\n0.000000 0.000000 0.000000 Y\n0.899491 0.399491 0.798983 Ni\n0.100508 0.600509 0.201017 Ni\n0.600508 0.100508 0.201017 Ni\n0.399491 0.899491 0.798983 Ni\n0.854970 0.854971 0.709942 B\n0.558507 0.558508 0.117015 B\n0.145029 0.145029 0.290059 B\n0.441492 0.441492 0.882985 B\n0.796579 0.796580 0.593159 C\n0.203420 0.203420 0.406841 C\n0.499999 0.500000 -0.000000 C\n","nsites":14,"nelements":4,"elements":["Y","Ni","B","C"],"chemical_system":"B-C-Ni-Y","density":5.921808943963063,"density_atomic":0.08596688920970517,"volume":162.85339772908148,"volume_molar":7.00518631691995,"formula_full":"Y3 Ni4 B4 C3","formula_reduced":"Y3Ni4B4C3","formula_anonymous":"A3B3C4D4","energy_above_hull":4.273060448809524,"spacegroup":139},{"id":"jvasp-17928","created_at":"2022-09-04T14:38:15.590052Z","updated_at":"2022-09-04T14:38:15.590065Z","structure_string":"Y3 Pb1 C1\n1.0\n4.901352 0.000000 -0.000000\n-0.000000 4.901352 -0.000000\n0.000000 0.000000 4.901352\nY Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Y","Pb","C"],"chemical_system":"C-Pb-Y","density":6.852886919199604,"density_atomic":0.04246413915433448,"volume":117.74641143266012,"volume_molar":14.181709272647051,"formula_full":"Y3 Pb1 C1","formula_reduced":"Y3PbC","formula_anonymous":"ABC3","energy_above_hull":3.065501434,"spacegroup":221},{"id":"jvasp-21480","created_at":"2022-09-04T14:38:34.632370Z","updated_at":"2022-09-04T14:38:34.632386Z","structure_string":"Y12 Pt4\n1.0\n6.490606 0.000000 0.000000\n0.000000 7.053932 0.000000\n0.000000 0.000000 9.561614\nY Pt\n12 4\ndirect\n0.131306 0.025240 0.250000 Y\n0.631307 0.474760 0.750000 Y\n0.368694 0.525240 0.250000 Y\n0.868694 0.974760 0.750000 Y\n0.678849 0.180173 0.060463 Y\n0.178849 0.319827 0.939537 Y\n0.821152 0.680173 0.439537 Y\n0.321152 0.819827 0.560463 Y\n0.321152 0.819827 0.939537 Y\n0.821152 0.680173 0.060463 Y\n0.178849 0.319827 0.560463 Y\n0.678849 0.180173 0.439537 Y\n0.949741 0.387730 0.250000 Pt\n0.449741 0.112270 0.750000 Pt\n0.550260 0.887730 0.250000 Pt\n0.050260 0.612269 0.750000 Pt\n","nsites":16,"nelements":2,"elements":["Y","Pt"],"chemical_system":"Pt-Y","density":7.006752095004108,"density_atomic":0.036548727392640014,"volume":437.771740397779,"volume_molar":16.477019008910023,"formula_full":"Y12 Pt4","formula_reduced":"Y3Pt","formula_anonymous":"AB3","energy_above_hull":2.6450269375,"spacegroup":62},{"id":"jvasp-88569","created_at":"2022-09-04T14:36:10.538758Z","updated_at":"2022-09-04T14:36:10.538789Z","structure_string":"Y6 Ru2 I6\n1.0\n4.208640 0.000000 0.000000\n0.000000 8.722528 -0.710700\n0.000000 0.016698 12.121145\nY Ru I\n6 2 6\ndirect\n0.750000 0.868877 0.126101 Y\n0.250000 0.131124 0.873900 Y\n0.750000 0.896151 0.678114 Y\n0.250000 0.103849 0.321886 Y\n0.250000 0.731707 0.892955 Y\n0.750000 0.268293 0.107046 Y\n0.750000 0.940352 0.903792 Ru\n0.250000 0.059649 0.096208 Ru\n0.250000 0.637011 0.629626 I\n0.750000 0.362989 0.370374 I\n0.750000 0.854205 0.392566 I\n0.250000 0.145795 0.607434 I\n0.250000 0.576234 0.135991 I\n0.750000 0.423766 0.864010 I\n","nsites":14,"nelements":3,"elements":["Y","Ru","I"],"chemical_system":"I-Ru-Y","density":5.585922592515428,"density_atomic":0.03145947668090087,"volume":445.0169385207681,"volume_molar":19.142533173973796,"formula_full":"Y6 Ru2 I6","formula_reduced":"Y3RuI3","formula_anonymous":"AB3C3","energy_above_hull":1.846135096428572,"spacegroup":11},{"id":"jvasp-106622","created_at":"2022-09-04T14:36:54.309427Z","updated_at":"2022-09-04T14:36:54.309442Z","structure_string":"Y6 Sb2\n1.0\n6.791175 -0.000000 0.000000\n-3.395587 5.881330 0.000000\n-0.000000 -0.000000 5.537189\nY Sb\n6 2\ndirect\n0.340060 0.170030 0.750000 Y\n0.829969 0.170030 0.750000 Y\n0.829969 0.659939 0.750000 Y\n0.170030 0.829970 0.250000 Y\n0.659938 0.829970 0.250000 Y\n0.170030 0.340061 0.250000 Y\n0.666666 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n","nsites":8,"nelements":2,"elements":["Y","Sb"],"chemical_system":"Sb-Y","density":5.833580586570551,"density_atomic":0.03617263694056104,"volume":221.1616480475454,"volume_molar":16.648332190698724,"formula_full":"Y6 Sb2","formula_reduced":"Y3Sb","formula_anonymous":"AB3","energy_above_hull":2.4592731125,"spacegroup":194},{"id":"jvasp-49151","created_at":"2022-09-04T14:36:47.507781Z","updated_at":"2022-09-04T14:36:47.507803Z","structure_string":"Y6 Sb8 Au6\n1.0\n8.111281 -0.000000 -2.867771\n-4.055640 7.024576 -2.867771\n0.000000 0.000000 8.603313\nY Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.375000 Y\n0.375000 0.250000 0.625000 Y\n0.125000 0.750000 0.875000 Y\n0.875000 0.125000 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.750000 0.875001 0.125000 Y\n0.820357 0.500000 0.000000 Sb\n0.179643 0.179643 0.179643 Sb\n0.000000 0.820357 0.500000 Sb\n0.679643 0.679644 0.679643 Sb\n0.500000 0.000000 0.820357 Sb\n0.000000 0.320357 0.500000 Sb\n0.500000 0.000000 0.320357 Sb\n0.320357 0.500000 0.000000 Sb\n0.750000 0.375000 0.625000 Au\n0.375000 0.625000 0.750000 Au\n0.625000 0.750000 0.375000 Au\n0.875000 0.250000 0.125000 Au\n0.250000 0.125000 0.875000 Au\n0.125000 0.875001 0.250000 Au\n","nsites":20,"nelements":3,"elements":["Y","Sb","Au"],"chemical_system":"Au-Sb-Y","density":9.109937705570143,"density_atomic":0.04079948768441722,"volume":490.2022337804676,"volume_molar":14.760334263462015,"formula_full":"Y6 Sb8 Au6","formula_reduced":"Y3Sb4Au3","formula_anonymous":"A3B3C4","energy_above_hull":1.886963346,"spacegroup":220},{"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},{"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-102582","created_at":"2022-09-04T14:36:50.166564Z","updated_at":"2022-09-04T14:36:50.166594Z","structure_string":"Y3 Si1\n1.0\n4.634993 -0.000000 0.000000\n0.000000 4.634993 0.000000\n-0.000000 0.000000 4.634993\nY Si\n3 1\ndirect\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":2,"elements":["Y","Si"],"chemical_system":"Si-Y","density":4.916248445271649,"density_atomic":0.04017100930100736,"volume":99.57429672795632,"volume_molar":14.991260774344012,"formula_full":"Y3 Si1","formula_reduced":"Y3Si","formula_anonymous":"AB3","energy_above_hull":2.8899937374999998,"spacegroup":221},{"id":"jvasp-106321","created_at":"2022-09-04T14:37:48.479121Z","updated_at":"2022-09-04T14:37:48.479156Z","structure_string":"Y3 Si3 Ni1\n1.0\n4.055040 -0.005753 -8.273465\n-0.192786 3.837968 -8.374153\n-0.002006 0.005753 9.213770\nY Si Ni\n3 3 1\ndirect\n0.818500 0.318501 0.500000 Y\n0.184583 0.684584 0.499999 Y\n0.998485 0.998487 0.000001 Y\n0.645910 0.145910 0.500000 Si\n0.360637 0.860638 0.500000 Si\n0.559420 0.559422 0.000001 Si\n0.432461 0.432462 0.000001 Ni\n","nsites":7,"nelements":3,"elements":["Y","Si","Ni"],"chemical_system":"Ni-Si-Y","density":4.7397078523428275,"density_atomic":0.04877183066549418,"volume":143.52547166027261,"volume_molar":12.347579899765037,"formula_full":"Y3 Si3 Ni1","formula_reduced":"Y3Si3Ni","formula_anonymous":"AB3C3","energy_above_hull":3.0080620785714283,"spacegroup":44},{"id":"jvasp-11428","created_at":"2022-09-04T14:36:40.607081Z","updated_at":"2022-09-04T14:36:40.607107Z","structure_string":"Y6 Si6 Rh2\n1.0\n4.177424 -0.000000 0.694316\n2.055423 5.292740 0.547447\n-0.001275 -0.006451 12.921782\nY Si Rh\n6 6 2\ndirect\n0.602413 0.716262 0.078911 Y\n0.397584 0.283738 0.921090 Y\n0.522431 0.331138 0.623999 Y\n0.477566 0.668862 0.376002 Y\n0.256871 0.258240 0.228017 Y\n0.743126 0.741760 0.771983 Y\n0.955011 0.853571 0.236404 Si\n0.044986 0.146429 0.763597 Si\n0.868705 0.718308 0.544278 Si\n0.131293 0.281692 0.455722 Si\n0.114417 0.846392 0.924773 Si\n0.885581 0.153608 0.075228 Si\n0.753763 0.078632 0.413839 Rh\n0.246234 0.921368 0.586161 Rh\n","nsites":14,"nelements":3,"elements":["Y","Si","Rh"],"chemical_system":"Rh-Si-Y","density":5.275852286156135,"density_atomic":0.04900054998077313,"volume":285.7110788653052,"volume_molar":12.28994524013092,"formula_full":"Y6 Si6 Rh2","formula_reduced":"Y3Si3Rh","formula_anonymous":"AB3C3","energy_above_hull":3.2924164499999997,"spacegroup":12},{"id":"jvasp-102157","created_at":"2022-09-04T14:36:34.959800Z","updated_at":"2022-09-04T14:36:34.959821Z","structure_string":"Y3 Si2 Ni2\n1.0\n3.996169 -0.008440 -8.014997\n-0.209602 3.948964 -8.035630\n-0.007520 0.008440 8.955974\nY Si Ni\n3 2 2\ndirect\n0.181019 0.681018 0.500000 Y\n0.818982 0.318981 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.361288 0.861287 0.499999 Si\n0.638713 0.138713 0.500000 Si\n0.430941 0.430940 -0.000000 Ni\n0.569060 0.569059 -0.000000 Ni\n","nsites":7,"nelements":3,"elements":["Y","Si","Ni"],"chemical_system":"Ni-Si-Y","density":5.171766236688834,"density_atomic":0.04951804134876754,"volume":141.36261874126455,"volume_molar":12.161508403744415,"formula_full":"Y3 Si2 Ni2","formula_reduced":"Y3(SiNi)2","formula_anonymous":"A2B2C3","energy_above_hull":2.67687405,"spacegroup":71}]}