ASE database

Displaying rows 1-8 out of 8
Formula ✕ str_E ✕ Calculator ✕ Mass ✕ slab_E ✕ distance ✕ Magnetic moment ✕
Au54H -168.070 vasp 10637.203 -165.064 0.464 0.000
Au54He -165.069 vasp 10640.197 -165.064 3.597 0.000
Au54Li -168.230 vasp 10643.135 -165.064 1.620 -0.000
Au54Be -169.147 vasp 10645.207 -165.064 0.461 0.000
Au54B -171.055 vasp 10647.005 -165.064 0.094 0.000
Au54C -171.207 vasp 10648.206 -165.064 0.055 -0.000
Au54N -170.577 vasp 10650.202 -165.064 0.748 -0.000
Au54O -169.926 vasp 10652.194 -165.064 0.843 0.000
Au54F -168.695 vasp 10655.193 -165.064 1.259 0.000
Au54Ne -165.085 vasp 10656.374 -165.064 3.424 0.000
Au54Na -167.652 vasp 10659.184 -165.064 2.111 -0.000
Au54Mg -167.509 vasp 10660.500 -165.064 1.410 0.000
AlAu54 -169.611 vasp 10663.176 -165.064 0.934 -0.000
Au54Si -170.944 vasp 10664.280 -165.064 0.866 -0.000
Au54P -171.031 vasp 10667.168 -165.064 1.150 0.000
Au54S -169.906 vasp 10668.255 -165.064 1.251 0.000
Au54Cl -167.868 vasp 10671.645 -165.064 1.721 0.000
Au54Ar -165.095 vasp 10676.143 -165.064 3.651 -0.000
Au54H -168.428 vasp 10637.203 -165.064 0.885 0.000
Au54He -165.069 vasp 10640.197 -165.064 3.568 -0.000
Au54Li -167.904 vasp 10643.135 -165.064 1.954 0.000
Au54Be -167.816 vasp 10645.207 -165.064 1.213 -0.000
Au54B -169.754 vasp 10647.005 -165.064 0.861 -0.000
Au54C -170.497 vasp 10648.206 -165.064 1.062 0.000
Au54N -170.360 vasp 10650.202 -165.064 1.146 0.000