ASE database

Displaying rows 1-25 out of 594
Formula ✕ Energy ✕ Maximum stress ✕ Magnetic moment ✕ Number of atoms ✕ Charge ✕ ads_site ✕
Au54H -168.070 0.012 0.000 55 0.000 2f
Au54He -165.069 0.011 0.000 55 0.000 2f
Au54Li -168.230 0.011 -0.000 55 0.000 2f
Au54Be -169.147 0.010 0.000 55 0.000 2f
Au54B -171.055 0.011 0.000 55 0.000 2f
Au54C -171.207 0.011 -0.000 55 0.000 2f
Au54N -170.577 0.011 -0.000 55 0.000 2f
Au54O -169.926 0.011 0.000 55 0.000 2f
Au54F -168.695 0.011 0.000 55 0.000 2f
Au54Ne -165.085 0.011 0.000 55 0.000 2f
Au54Na -167.652 0.011 -0.000 55 0.000 2f
Au54Mg -167.509 0.010 0.000 55 0.000 2f
AlAu54 -169.611 0.010 -0.000 55 0.000 2f
Au54Si -170.944 0.010 -0.000 55 0.000 2f
Au54P -171.031 0.011 0.000 55 0.000 2f
Au54S -169.906 0.011 0.000 55 0.000 2f
Au54Cl -167.868 0.011 0.000 55 0.000 2f
Au54Ar -165.095 0.011 -0.000 55 0.000 2f
Au54H -168.428 0.011 0.000 55 0.000 1b
Au54He -165.069 0.011 -0.000 55 0.000 1b
Au54Li -167.904 0.012 0.000 55 0.000 1b
Au54Be -167.816 0.012 -0.000 55 0.000 1b
Au54B -169.754 0.011 -0.000 55 0.000 1b
Au54C -170.497 0.011 0.000 55 0.000 1b
Au54N -170.360 0.011 0.000 55 0.000 1b