ASE database

ID Formula Dipole_val ads_E slab_E Username
76 Au72Be -0.299 -3.681 -218.527 hecc
77 Au72B 0.021 -5.161 -218.527 hecc
78 Au72C 0.079 -4.581 -218.527 hecc
79 Au72N 0.957 -1.930 -218.527 hecc
80 Au72O 1.357 -3.169 -218.527 hecc
81 Au72F 1.379 -3.294 -218.527 hecc
82 Au72Ne -0.009 -0.009 -218.527 hecc
83 Au72Na -3.991 -2.393 -218.527 hecc
84 Au72Mg -2.085 -2.455 -218.527 hecc
85 AlAu72 -0.667 -4.039 -218.527 hecc
86 Au72Si -0.217 -4.598 -218.527 hecc
87 Au72P -0.015 -3.429 -218.527 hecc
88 Au72S 0.997 -3.435 -218.527 hecc
89 Au72Cl 1.110 -2.727 -218.527 hecc
90 Au72Ar -0.110 0.000 -218.527 hecc
91 Au72H 0.080 -2.313 -218.527 hecc
92 Au72He -0.023 -0.005 -218.527 hecc
93 Au72Li -4.421 -2.432 -218.527 hecc
94 Au72Be -1.284 -3.432 -218.527 hecc
95 Au72B -0.273 -5.288 -218.527 hecc
96 Au72C 0.571 -4.339 -218.527 hecc
97 Au72N 1.173 -2.263 -218.527 hecc
98 Au72O 1.637 -3.463 -218.527 hecc
99 Au72F 1.741 -3.451 -218.527 hecc
100 Au72Ne -0.015 -0.007 -218.527 hecc