{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=67","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=65","results":[{"id":"jvasp-30791","created_at":"2022-09-04T14:38:40.415401Z","updated_at":"2022-09-04T14:38:40.415430Z","structure_string":"Mo12 O28\n1.0\n5.728480 0.000000 0.000000\n0.000000 11.443855 0.000000\n0.000000 0.000000 7.582662\nMo O\n12 28\ndirect\n0.249964 0.011681 0.249998 Mo\n0.750036 0.988319 0.750002 Mo\n0.250036 0.011681 0.749998 Mo\n0.249964 0.488319 0.249998 Mo\n0.250033 0.750000 0.750004 Mo\n0.750033 0.250000 0.749996 Mo\n0.749964 0.511681 0.250002 Mo\n0.249967 0.750000 0.250004 Mo\n0.250036 0.488319 0.749998 Mo\n0.750036 0.511681 0.750002 Mo\n0.749964 0.988319 0.250002 Mo\n0.749967 0.250000 0.249996 Mo\n0.750069 0.250000 0.499993 O\n0.003743 0.627699 0.750034 O\n0.249931 0.750000 0.500006 O\n0.749931 0.250000 0.999993 O\n0.250069 0.750000 0.000007 O\n0.249969 0.492899 0.499997 O\n0.750031 0.507101 0.500003 O\n0.749969 0.992898 0.000003 O\n0.249969 0.007101 0.499997 O\n0.749969 0.507101 0.000003 O\n0.503743 0.372301 0.749965 O\n0.250031 0.492899 -0.000003 O\n0.996257 0.127699 0.249966 O\n0.496329 0.627701 0.749972 O\n0.996257 0.372301 0.249966 O\n0.496257 0.627699 0.250034 O\n0.003743 0.872301 0.750034 O\n0.503743 0.127699 0.749965 O\n0.250031 0.007101 -0.000003 O\n0.996329 0.372299 0.750028 O\n0.503671 0.127701 0.250028 O\n0.003671 0.872298 0.249972 O\n0.503671 0.372299 0.250028 O\n0.003671 0.627701 0.249972 O\n0.496329 0.872298 0.749972 O\n0.996329 0.127701 0.750028 O\n0.496257 0.872301 0.250034 O\n0.750031 0.992898 0.500003 O\n","nsites":40,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":5.342390092237334,"density_atomic":0.0804686186523914,"volume":497.0881900283654,"volume_molar":7.483837626211111,"formula_full":"Mo12 O28","formula_reduced":"Mo3O7","formula_anonymous":"A3B7","energy_above_hull":3.968351219999999,"spacegroup":65},{"id":"jvasp-88328","created_at":"2022-09-04T14:35:57.024266Z","updated_at":"2022-09-04T14:35:57.024287Z","structure_string":"H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n","nsites":40,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.7921234926777323,"density_atomic":0.0998192182248609,"volume":400.72443675017314,"volume_molar":6.033047410203149,"formula_full":"H16 C4 S4 N8 O8","formula_reduced":"H4CS(NO)2","formula_anonymous":"ABC2D2E4","energy_above_hull":3.94656235,"spacegroup":62},{"id":"jvasp-98614","created_at":"2022-09-04T14:36:15.941607Z","updated_at":"2022-09-04T14:36:15.941623Z","structure_string":"Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n","nsites":40,"nelements":5,"elements":["Li","Al","Si","H","O"],"chemical_system":"Al-H-Li-O-Si","density":2.073664787356227,"density_atomic":0.08670894036937643,"volume":461.3134450680828,"volume_molar":6.9452362517013055,"formula_full":"Li4 Al4 Si4 H8 O20","formula_reduced":"LiAlSiH2O5","formula_anonymous":"ABCD2E5","energy_above_hull":2.4937628899999997,"spacegroup":33},{"id":"jvasp-29418","created_at":"2022-09-04T14:37:52.623163Z","updated_at":"2022-09-04T14:37:52.623180Z","structure_string":"Dy4 Te10 O26\n1.0\n6.962750 0.001819 0.370863\n2.215757 8.345491 0.122720\n-0.018841 -0.018927 10.556959\nDy Te O\n4 10 26\ndirect\n0.554205 0.529265 0.179642 Dy\n0.997864 0.735051 0.237839 Dy\n0.002137 0.264949 0.762161 Dy\n0.445796 0.470735 0.820357 Dy\n0.874854 0.654534 0.892889 Te\n0.156611 0.803271 0.633009 Te\n0.125147 0.345465 0.107111 Te\n0.566998 0.091344 0.695012 Te\n0.843390 0.196729 0.366991 Te\n0.709363 0.117280 0.029320 Te\n0.726273 0.606708 0.520752 Te\n0.290638 0.882719 0.970680 Te\n0.273728 0.393292 0.479248 Te\n0.433002 0.908656 0.304988 Te\n0.344017 0.990623 0.124865 O\n0.533611 0.325581 0.002929 O\n0.538233 0.810261 0.487048 O\n0.044585 0.349061 0.562320 O\n0.933711 0.732378 0.718045 O\n0.940226 0.981963 0.314399 O\n0.955416 0.650939 0.437680 O\n0.671456 0.256768 0.229836 O\n0.941053 0.179663 0.966128 O\n0.338335 0.512079 0.614655 O\n0.238800 0.494283 0.186746 O\n0.059775 0.018037 0.685600 O\n0.328545 0.743231 0.770164 O\n0.466390 0.674419 0.997071 O\n0.687579 0.262879 0.710221 O\n0.058948 0.820337 0.033872 O\n0.667379 0.779847 0.223337 O\n0.761200 0.505717 0.813254 O\n0.312422 0.737121 0.289779 O\n0.661666 0.487920 0.385345 O\n0.461767 0.189738 0.512952 O\n0.879172 0.512194 0.108169 O\n0.120828 0.487805 0.891831 O\n0.655983 0.009377 0.875135 O\n0.066290 0.267621 0.281954 O\n0.332622 0.220152 0.776662 O\n","nsites":40,"nelements":3,"elements":["Dy","Te","O"],"chemical_system":"Dy-O-Te","density":6.339426479460715,"density_atomic":0.06520439437628502,"volume":613.4555865846381,"volume_molar":9.235789731052646,"formula_full":"Dy4 Te10 O26","formula_reduced":"Dy2Te5O13","formula_anonymous":"A2B5C13","energy_above_hull":2.3534338666666668,"spacegroup":2},{"id":"jvasp-20955","created_at":"2022-09-04T14:38:07.150320Z","updated_at":"2022-09-04T14:38:07.150348Z","structure_string":"Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n","nsites":40,"nelements":3,"elements":["Ca","Ti","O"],"chemical_system":"Ca-O-Ti","density":3.980880887125402,"density_atomic":0.0881744179162604,"volume":453.6463176653818,"volume_molar":6.82980495059151,"formula_full":"Ca8 Ti8 O24","formula_reduced":"CaTiO3","formula_anonymous":"ABC3","energy_above_hull":1.5786858506666666,"spacegroup":62},{"id":"jvasp-22772","created_at":"2022-09-04T14:37:51.953899Z","updated_at":"2022-09-04T14:37:51.953930Z","structure_string":"Pr16 O24\n1.0\n9.206191 -0.000000 -3.254880\n-4.603095 7.972796 -3.254880\n0.000000 -0.000000 9.764640\nPr O\n16 24\ndirect\n0.500000 0.500000 0.500000 Pr\n0.250000 0.719917 0.469917 Pr\n0.030083 0.750000 0.780083 Pr\n0.780083 0.030083 0.750000 Pr\n0.469917 0.250000 0.719917 Pr\n0.719917 0.469917 0.250000 Pr\n0.750000 0.280083 0.530083 Pr\n0.750000 0.780084 0.030083 Pr\n0.219917 0.969917 0.250000 Pr\n0.530083 0.750000 0.280083 Pr\n0.280083 0.530083 0.750000 Pr\n0.250000 0.219917 0.969917 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 -0.000000 Pr\n0.969917 0.250000 0.219917 Pr\n0.000000 0.000000 0.500000 Pr\n0.959784 0.728891 0.987591 O\n0.540216 0.527807 0.769107 O\n0.241300 0.972194 0.512409 O\n0.730893 0.258700 0.771109 O\n0.027807 0.487591 0.758700 O\n0.987590 0.959784 0.728891 O\n0.228891 0.269107 0.741300 O\n0.271109 0.012409 0.040216 O\n0.230893 0.459784 0.472193 O\n0.459784 0.472193 0.230893 O\n0.758700 0.027807 0.487591 O\n0.269107 0.741300 0.228891 O\n0.040216 0.271109 0.012409 O\n0.258700 0.771110 0.730893 O\n0.487591 0.758700 0.027807 O\n0.012409 0.040216 0.271109 O\n0.472193 0.230893 0.459784 O\n0.972193 0.512410 0.241300 O\n0.771109 0.730894 0.258700 O\n0.728890 0.987591 0.959784 O\n0.769107 0.540216 0.527807 O\n0.527807 0.769107 0.540216 O\n0.741300 0.228891 0.269107 O\n0.512409 0.241300 0.972193 O\n","nsites":40,"nelements":2,"elements":["Pr","O"],"chemical_system":"O-Pr","density":6.1130879406669365,"density_atomic":0.05581014129148278,"volume":716.7156196772507,"volume_molar":10.790405866467575,"formula_full":"Pr16 O24","formula_reduced":"Pr2O3","formula_anonymous":"A2B3","energy_above_hull":1.6348626999999998,"spacegroup":206},{"id":"jvasp-96761","created_at":"2022-09-04T14:36:20.617661Z","updated_at":"2022-09-04T14:36:20.617688Z","structure_string":"P4 Au4 Cl32\n1.0\n10.345849 -0.181486 -4.992841\n-6.734117 9.282698 -0.693665\n-0.121147 0.181486 11.486965\nP Au Cl\n4 4 32\ndirect\n-0.000000 0.250151 0.250151 P\n0.500000 0.749849 0.249849 P\n-0.000000 0.749849 0.749849 P\n0.500000 0.250151 0.750151 P\n0.085559 0.835559 0.250000 Au\n0.914441 0.164441 0.750000 Au\n0.424315 0.674315 0.750000 Au\n0.575685 0.325685 0.250000 Au\n0.309200 0.585939 0.078056 Cl\n0.690800 0.414061 0.921944 Cl\n0.992117 0.768856 0.578056 Cl\n0.710143 0.960143 0.750000 Cl\n0.289857 0.039857 0.250000 Cl\n0.119975 0.369975 0.750000 Cl\n0.880025 0.630025 0.250000 Cl\n0.914193 0.309410 0.895217 Cl\n0.914193 0.018977 0.604783 Cl\n0.085806 0.690590 0.104783 Cl\n0.085806 0.981024 0.395217 Cl\n0.618030 0.676389 0.941642 Cl\n0.234747 0.676389 0.558359 Cl\n0.765253 0.323611 0.441641 Cl\n0.381970 0.323612 0.058358 Cl\n0.424506 0.819907 0.895401 Cl\n0.424506 0.529105 0.604599 Cl\n0.575494 0.180093 0.104599 Cl\n0.575494 0.470895 0.395401 Cl\n0.007883 0.585940 0.776739 Cl\n0.192763 0.288283 0.260897 Cl\n0.807237 0.068134 0.095519 Cl\n0.472614 0.711718 0.404481 Cl\n0.472614 0.068134 0.760897 Cl\n0.807237 0.711718 0.739103 Cl\n0.192763 0.931867 0.904481 Cl\n0.527385 0.288283 0.595519 Cl\n0.690800 0.768856 0.276739 Cl\n0.992117 0.414061 0.223261 Cl\n0.007883 0.231144 0.421944 Cl\n0.309200 0.231144 0.723261 Cl\n0.527385 0.931866 0.239103 Cl\n","nsites":40,"nelements":3,"elements":["P","Au","Cl"],"chemical_system":"Au-Cl-P","density":3.114719358112111,"density_atomic":0.036666509512622944,"volume":1090.9137665866301,"volume_molar":16.424090648516177,"formula_full":"P4 Au4 Cl32","formula_reduced":"PAuCl8","formula_anonymous":"ABC8","energy_above_hull":0.454159561,"spacegroup":74},{"id":"jvasp-22782","created_at":"2022-09-04T14:37:53.012721Z","updated_at":"2022-09-04T14:37:53.012751Z","structure_string":"Ba8 Li2 Ta6 O24\n1.0\n2.919456 -5.056647 0.000000\n2.919456 5.056647 -0.000000\n-0.000000 0.000000 19.255327\nBa Li Ta O\n8 2 6 24\ndirect\n0.000000 0.000000 0.002983 Ba\n0.000000 0.000000 0.502984 Ba\n0.333334 0.666668 0.144349 Ba\n0.666668 0.333334 0.644349 Ba\n0.333334 0.666668 0.369550 Ba\n0.666668 0.333334 0.869551 Ba\n0.666668 0.333334 0.247625 Ba\n0.333334 0.666668 0.747625 Ba\n0.000000 0.000000 0.165157 Li\n0.000000 0.000000 0.665158 Li\n0.666668 0.333334 0.439409 Ta\n0.333334 0.666668 0.939409 Ta\n0.666668 0.333334 0.066207 Ta\n0.000000 0.000000 0.809400 Ta\n0.000000 0.000000 0.309400 Ta\n0.333334 0.666668 0.566207 Ta\n0.159521 0.840480 0.257357 O\n0.653944 0.826973 0.618477 O\n0.826973 0.173028 0.118477 O\n0.501118 0.498883 0.497009 O\n0.002235 0.501118 0.997009 O\n0.498883 0.997766 0.997009 O\n0.501118 0.002235 0.497009 O\n0.997766 0.498883 0.497009 O\n0.498883 0.501118 0.997009 O\n0.319040 0.159521 0.757357 O\n0.346057 0.173028 0.118477 O\n0.840480 0.159521 0.757357 O\n0.830866 0.169135 0.378929 O\n0.661731 0.830867 0.878929 O\n0.169135 0.338270 0.878929 O\n0.830867 0.661731 0.378929 O\n0.338270 0.169135 0.378929 O\n0.169135 0.830866 0.878929 O\n0.173028 0.346057 0.618477 O\n0.680961 0.840481 0.257357 O\n0.159521 0.319040 0.257357 O\n0.840481 0.680961 0.757357 O\n0.173028 0.826973 0.618477 O\n0.826973 0.653944 0.118477 O\n","nsites":40,"nelements":4,"elements":["Ba","Li","Ta","O"],"chemical_system":"Ba-Li-O-Ta","density":7.5420361785702354,"density_atomic":0.07035816855011293,"volume":568.5196306880816,"volume_molar":8.559263102067108,"formula_full":"Ba8 Li2 Ta6 O24","formula_reduced":"Ba4LiTa3O12","formula_anonymous":"AB3C4D12","energy_above_hull":2.924003674,"spacegroup":186},{"id":"jvasp-33370","created_at":"2022-09-04T14:37:52.832490Z","updated_at":"2022-09-04T14:37:52.832525Z","structure_string":"Cu2 Si2 H16 O8 F12\n1.0\n6.566126 0.069512 0.000000\n-2.169442 5.883782 0.000000\n0.000000 0.000000 9.311457\nCu Si H O F\n2 2 16 8 12\ndirect\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 -0.000000 0.500000 Si\n0.245001 0.295121 0.599394 H\n0.245001 0.795121 0.900607 H\n0.755000 0.704878 0.400606 H\n0.319739 0.558546 0.654307 H\n0.680261 0.941453 0.154306 H\n0.680261 0.441453 0.345694 H\n0.319739 0.058546 0.845694 H\n0.755000 0.204878 0.099394 H\n0.964077 0.213252 0.288645 H\n0.964077 0.713252 0.211355 H\n0.035924 0.786747 0.711356 H\n0.201664 0.894149 0.213662 H\n0.798336 0.605850 0.713662 H\n0.798336 0.105850 0.786339 H\n0.201664 0.394149 0.286339 H\n0.035923 0.286747 0.788645 H\n0.192536 0.418670 0.636097 O\n0.807464 0.081329 0.136097 O\n0.192536 0.918670 0.863903 O\n0.807464 0.581329 0.363903 O\n0.919821 0.684117 0.649726 O\n0.919821 0.184117 0.850274 O\n0.080180 0.315882 0.350274 O\n0.080180 0.815882 0.149726 O\n0.686415 0.213889 0.593165 F\n0.707092 0.930111 0.424075 F\n0.292908 0.569888 0.924075 F\n0.292908 0.069888 0.575925 F\n0.707092 0.430111 0.075925 F\n0.509912 0.181114 0.358706 F\n0.490088 0.318885 0.858706 F\n0.490088 0.818885 0.641295 F\n0.509912 0.681114 0.141294 F\n0.313586 0.786110 0.406835 F\n0.686415 0.713889 0.906835 F\n0.313586 0.286110 0.093165 F\n","nsites":40,"nelements":5,"elements":["Cu","Si","H","O","F"],"chemical_system":"Cu-F-H-O-Si","density":2.553601344190086,"density_atomic":0.11076043239267647,"volume":361.1397963686969,"volume_molar":5.437086719425074,"formula_full":"Cu2 Si2 H16 O8 F12","formula_reduced":"CuSiH8(O2F3)2","formula_anonymous":"ABC4D6E8","energy_above_hull":1.94135423725,"spacegroup":14},{"id":"jvasp-29301","created_at":"2022-09-04T14:38:00.632785Z","updated_at":"2022-09-04T14:38:00.632801Z","structure_string":"Mo4 As8 O28\n1.0\n4.580831 0.000000 0.000000\n0.000000 7.623657 -1.274126\n0.000000 -0.082572 16.421834\nMo As O\n4 8 28\ndirect\n0.000757 0.164795 0.098239 Mo\n0.499242 0.664795 0.598239 Mo\n0.500757 0.335206 0.401761 Mo\n0.999241 0.835207 0.901761 Mo\n0.959537 0.677829 0.441668 As\n0.952125 0.108225 0.714674 As\n0.047874 0.891775 0.285325 As\n0.452124 0.391775 0.785325 As\n0.040464 0.322172 0.558331 As\n0.540464 0.177828 0.941668 As\n0.459536 0.822173 0.058333 As\n0.547873 0.608225 0.214675 As\n0.741443 0.427881 0.524268 O\n0.241443 0.072119 0.975732 O\n0.258557 0.572119 0.475733 O\n0.758557 0.927881 0.024267 O\n0.270641 0.838820 0.623232 O\n0.770642 0.661181 0.876767 O\n0.729357 0.161180 0.376768 O\n0.229359 0.338820 0.123232 O\n0.327635 0.174280 0.732285 O\n0.096043 0.840822 0.393837 O\n0.827635 0.325720 0.767714 O\n0.672364 0.825720 0.267714 O\n0.172366 0.674280 0.232285 O\n0.718655 0.669720 0.681874 O\n0.218655 0.830281 0.818125 O\n0.281345 0.330280 0.318125 O\n0.781344 0.169720 0.181875 O\n0.403957 0.340822 0.893838 O\n0.249960 0.221737 0.476718 O\n0.750038 0.778264 0.523281 O\n0.250040 0.721737 0.976718 O\n0.249237 0.966981 0.126152 O\n0.749237 0.533020 0.373847 O\n0.750761 0.033020 0.873847 O\n0.250763 0.466981 0.626152 O\n0.596043 0.659179 0.106163 O\n0.749961 0.278264 0.023281 O\n0.903958 0.159179 0.606162 O\n","nsites":40,"nelements":3,"elements":["Mo","As","O"],"chemical_system":"As-Mo-O","density":4.147245756894151,"density_atomic":0.06980649429664751,"volume":573.0125886284626,"volume_molar":8.626906164931444,"formula_full":"Mo4 As8 O28","formula_reduced":"MoAs2O7","formula_anonymous":"AB2C7","energy_above_hull":3.13873639,"spacegroup":14},{"id":"jvasp-88429","created_at":"2022-09-04T14:36:09.823435Z","updated_at":"2022-09-04T14:36:09.823463Z","structure_string":"Yb16 O24\n1.0\n8.669876 -0.000000 -3.065264\n-4.334938 7.508333 -3.065264\n-0.000000 0.000000 9.195792\nYb O\n16 24\ndirect\n0.500000 0.500000 0.500000 Yb\n0.250000 0.719066 0.469066 Yb\n0.030933 0.750000 0.780934 Yb\n0.780934 0.030934 0.750000 Yb\n0.469066 0.250000 0.719066 Yb\n0.719066 0.469066 0.250000 Yb\n0.750000 0.280934 0.530934 Yb\n0.750000 0.780933 0.030934 Yb\n0.219066 0.969066 0.250000 Yb\n0.530934 0.750000 0.280934 Yb\n0.280934 0.530933 0.750000 Yb\n0.250000 0.219066 0.969066 Yb\n-0.000000 0.500000 0.000000 Yb\n0.500000 0.000000 0.000000 Yb\n0.969067 0.250000 0.219067 Yb\n0.000000 0.000000 0.500000 Yb\n0.962085 0.731131 0.992594 O\n0.537915 0.530508 0.769047 O\n0.238539 0.969492 0.507407 O\n0.730954 0.261460 0.768869 O\n0.030508 0.492593 0.761460 O\n0.992593 0.962085 0.731132 O\n0.231132 0.269046 0.738539 O\n0.268869 0.007407 0.037915 O\n0.230953 0.462085 0.469492 O\n0.462085 0.469492 0.230954 O\n0.761461 0.030508 0.492593 O\n0.269046 0.738539 0.231132 O\n0.037915 0.268868 0.007407 O\n0.261460 0.768868 0.730954 O\n0.492593 0.761460 0.030509 O\n0.007407 0.037915 0.268868 O\n0.469492 0.230953 0.462085 O\n0.969492 0.507407 0.238540 O\n0.768869 0.730953 0.261461 O\n0.731131 0.992593 0.962085 O\n0.769047 0.537915 0.530509 O\n0.530508 0.769046 0.537915 O\n0.738540 0.231131 0.269047 O\n0.507407 0.238539 0.969492 O\n","nsites":40,"nelements":2,"elements":["Yb","O"],"chemical_system":"O-Yb","density":8.745324808389974,"density_atomic":0.06682122609959718,"volume":598.6121826076629,"volume_molar":9.012317060785426,"formula_full":"Yb16 O24","formula_reduced":"Yb2O3","formula_anonymous":"A2B3","energy_above_hull":1.7107487,"spacegroup":206},{"id":"jvasp-23637","created_at":"2022-09-04T14:37:42.246156Z","updated_at":"2022-09-04T14:37:42.246173Z","structure_string":"Hf10 Ga20 Co10\n1.0\n7.322960 -0.000000 3.439651\n3.661480 8.648236 1.719825\n-0.015270 0.000000 9.547564\nHf Ga Co\n10 20 10\ndirect\n0.404114 0.719775 0.719775 Hf\n0.517860 0.000000 -0.000000 Hf\n0.054112 0.000000 -0.000000 Hf\n0.836395 0.000000 0.599220 Hf\n0.435616 0.400780 0.000000 Hf\n0.123889 0.280225 0.719775 Hf\n0.435616 0.000000 0.400780 Hf\n0.843665 0.280225 0.280225 Hf\n0.123889 0.719775 0.280225 Hf\n0.836394 0.599220 0.000000 Hf\n0.737749 0.508113 0.789369 Ga\n0.959877 0.838683 0.838683 Ga\n0.035231 0.210630 0.491887 Ga\n0.737749 0.789370 0.508113 Ga\n0.527119 0.508113 0.210630 Ga\n0.245862 0.491888 0.789369 Ga\n0.035231 0.491888 0.210631 Ga\n0.245862 0.789370 0.491888 Ga\n0.527119 0.210630 0.508112 Ga\n0.798560 0.161317 0.838683 Ga\n0.160571 0.260898 0.000000 Ga\n0.160572 0.000000 0.260897 Ga\n0.265003 0.384124 0.384123 Ga\n0.649126 0.615877 0.384124 Ga\n0.421468 0.000000 0.739102 Ga\n0.649126 0.384124 0.615876 Ga\n0.033249 0.615877 0.615877 Ga\n0.637243 0.161317 0.161317 Ga\n0.798560 0.838683 0.161317 Ga\n0.421468 0.739103 0.000000 Ga\n0.899346 0.500000 0.500000 Co\n0.399346 0.500000 0.500000 Co\n0.144557 0.000000 0.674810 Co\n0.819367 0.325190 0.000000 Co\n0.488936 0.215696 0.784304 Co\n0.273240 0.215696 0.215696 Co\n0.488936 0.784305 0.215696 Co\n0.704632 0.784305 0.784304 Co\n0.144557 0.674810 0.000000 Co\n0.819367 0.000000 0.325190 Co\n","nsites":40,"nelements":3,"elements":["Hf","Ga","Co"],"chemical_system":"Co-Ga-Hf","density":10.342054720465487,"density_atomic":0.06610390036870877,"volume":605.1080159701828,"volume_molar":9.110114117941922,"formula_full":"Hf10 Ga20 Co10","formula_reduced":"HfGa2Co","formula_anonymous":"ABC2","energy_above_hull":1.8456021375,"spacegroup":107}]}