ASE database

Displaying rows 1-25 out of 594
Formula ✕ Dipole_val ✕ slab_E ✕ ads_E ✕ str_E ✕ Magnetic moment ✕ PBC ✕
Au54H -0.123 -165.064 -1.889 -168.070 0.000 TTT
Au54He -0.011 -165.064 -0.007 -165.069 0.000 TTT
Au54Li -2.696 -165.064 -2.868 -168.230 -0.000 TTT
Au54Be -0.238 -165.064 -4.044 -169.147 0.000 TTT
Au54B -0.022 -165.064 -5.643 -171.055 0.000 TTT
Au54C 0.044 -165.064 -4.895 -171.207 -0.000 TTT
Au54N 0.360 -165.064 -2.390 -170.577 -0.000 TTT
Au54O 0.594 -165.064 -3.329 -169.926 0.000 TTT
Au54F 1.029 -165.064 -3.208 -168.695 0.000 TTT
Au54Ne -0.012 -165.064 -0.009 -165.085 0.000 TTT
Au54Na -4.669 -165.064 -2.363 -167.652 -0.000 TTT
Au54Mg -2.555 -165.064 -2.441 -167.509 0.000 TTT
AlAu54 -0.805 -165.064 -4.253 -169.611 -0.000 TTT
Au54Si -0.276 -165.064 -5.051 -170.944 -0.000 TTT
Au54P 0.008 -165.064 -4.079 -171.031 0.000 TTT
Au54S 0.191 -165.064 -3.898 -169.906 0.000 TTT
Au54Cl 0.752 -165.064 -2.562 -167.868 0.000 TTT
Au54Ar -0.077 -165.064 -0.005 -165.095 -0.000 TTT
Au54H -0.004 -165.064 -2.247 -168.428 0.000 TTT
Au54He -0.017 -165.064 -0.007 -165.069 -0.000 TTT
Au54Li -3.955 -165.064 -2.541 -167.904 0.000 TTT
Au54Be -1.093 -165.064 -2.713 -167.816 -0.000 TTT
Au54B -0.008 -165.064 -4.341 -169.754 -0.000 TTT
Au54C 0.475 -165.064 -4.185 -170.497 0.000 TTT
Au54N 0.930 -165.064 -2.172 -170.360 0.000 TTT