ASE database

Formula str_E Calculator Mass slab_E distance Magnetic moment
Au54O -169.953 vasp 10652.194 -165.064 1.207 -0.000
Au54F -168.878 vasp 10655.193 -165.064 1.450 0.000
Au54Ne -165.084 vasp 10656.374 -165.064 3.533 0.000
Au54Na -167.438 vasp 10659.184 -165.064 2.311 0.000
Au54Mg -166.817 vasp 10660.500 -165.064 1.912 0.000
AlAu54 -168.662 vasp 10663.176 -165.064 1.789 -0.000
Au54Si -169.936 vasp 10664.280 -165.064 1.628 -0.000
Au54P -170.059 vasp 10667.168 -165.064 1.558 -0.000
Au54S -169.436 vasp 10668.255 -165.064 1.610 0.000
Au54Cl -168.055 vasp 10671.645 -165.064 1.850 0.000
Au54Ar -165.093 vasp 10676.143 -165.064 3.651 0.000
Au54H -168.134 vasp 10637.203 -165.064 1.595 -0.000
Au54He -165.067 vasp 10640.197 -165.064 3.705 0.000
Au54Li -167.627 vasp 10643.135 -165.064 2.190 -0.000
Au54Be -166.735 vasp 10645.207 -165.064 2.075 0.000
Au54B -168.412 vasp 10647.005 -165.064 1.936 0.000
Au54C -169.007 vasp 10648.206 -165.064 1.843 0.000
Au54N -168.955 vasp 10650.202 -165.064 1.846 0.000
Au54O -168.874 vasp 10652.194 -165.064 1.899 0.000
Au54F -168.510 vasp 10655.193 -165.064 2.054 -0.000
Au54Ne -165.081 vasp 10656.374 -165.064 3.612 0.000
Au54Na -167.240 vasp 10659.184 -165.064 2.484 0.000
Au54Mg -166.341 vasp 10660.500 -165.064 2.361 -0.000
AlAu54 -168.104 vasp 10663.176 -165.064 2.346 0.000
Au54Si -168.778 vasp 10664.280 -165.064 2.049 -0.000