ASE database

Displaying rows 26-8 out of 8
Formula ✕ distance ✕ Mass ✕ Calculator ✕ Magnetic moment ✕ str_E ✕ Volume ✕ Maximum stress ✕ Energy ✕ ads_E ✕ slab_E ✕ Number of atoms ✕ Dipole_val ✕ Maximum force ✕ PBC ✕
Au54O 1.207 10652.194 vasp -0.000 -169.953 2654.442 0.011 -169.953 -3.356 -165.064 55 1.316 0.008 TTT
Au54F 1.450 10655.193 vasp 0.000 -168.878 2654.442 0.011 -168.878 -3.390 -165.064 55 1.353 0.007 TTT
Au54Ne 3.533 10656.374 vasp 0.000 -165.084 2654.442 0.011 -165.084 -0.008 -165.064 55 -0.015 0.009 TTT
Au54Na 2.311 10659.184 vasp 0.000 -167.438 2654.442 0.011 -167.438 -2.150 -165.064 55 -5.551 0.007 TTT
Au54Mg 1.912 10660.500 vasp 0.000 -166.817 2654.442 0.012 -166.817 -1.750 -165.064 55 -3.232 0.010 TTT
AlAu54 1.789 10663.176 vasp -0.000 -168.662 2654.442 0.012 -168.662 -3.303 -165.064 55 -1.327 0.010 TTT
Au54Si 1.628 10664.280 vasp -0.000 -169.936 2654.442 0.012 -169.936 -4.042 -165.064 55 -0.547 0.004 TTT
Au54P 1.558 10667.168 vasp -0.000 -170.059 2654.442 0.011 -170.059 -3.107 -165.064 55 0.123 0.009 TTT
Au54S 1.610 10668.255 vasp 0.000 -169.436 2654.442 0.011 -169.436 -3.427 -165.064 55 0.877 0.005 TTT
Au54Cl 1.850 10671.645 vasp 0.000 -168.055 2654.442 0.011 -168.055 -2.748 -165.064 55 0.954 0.005 TTT
Au54Ar 3.651 10676.143 vasp 0.000 -165.093 2654.442 0.011 -165.093 -0.004 -165.064 55 -0.099 0.008 TTT
Au54H 1.595 10637.203 vasp -0.000 -168.134 2654.442 0.011 -168.134 -1.953 -165.064 55 0.155 0.009 TTT
Au54He 3.705 10640.197 vasp 0.000 -165.067 2654.442 0.011 -165.067 -0.005 -165.064 55 -0.015 0.008 TTT
Au54Li 2.190 10643.135 vasp -0.000 -167.627 2654.442 0.011 -167.627 -2.265 -165.064 55 -5.047 0.005 TTT
Au54Be 2.075 10645.207 vasp 0.000 -166.735 2654.442 0.011 -166.735 -1.631 -165.064 55 -1.560 0.007 TTT
Au54B 1.936 10647.005 vasp 0.000 -168.412 2654.442 0.011 -168.412 -2.999 -165.064 55 0.021 0.007 TTT
Au54C 1.843 10648.206 vasp 0.000 -169.007 2654.442 0.011 -169.007 -2.695 -165.064 55 0.691 0.010 TTT
Au54N 1.846 10650.202 vasp 0.000 -168.955 2654.442 0.011 -168.955 -0.767 -165.064 55 1.558 0.005 TTT
Au54O 1.899 10652.194 vasp 0.000 -168.874 2654.442 0.010 -168.874 -2.278 -165.064 55 2.393 0.009 TTT
Au54F 2.054 10655.193 vasp -0.000 -168.510 2654.442 0.010 -168.510 -3.022 -165.064 55 2.726 0.008 TTT
Au54Ne 3.612 10656.374 vasp 0.000 -165.081 2654.442 0.011 -165.081 -0.004 -165.064 55 -0.019 0.007 TTT
Au54Na 2.484 10659.184 vasp 0.000 -167.240 2654.442 0.011 -167.240 -1.952 -165.064 55 -6.299 0.008 TTT
Au54Mg 2.361 10660.500 vasp -0.000 -166.341 2654.442 0.011 -166.341 -1.273 -165.064 55 -3.297 0.010 TTT
AlAu54 2.346 10663.176 vasp 0.000 -168.104 2654.442 0.011 -168.104 -2.745 -165.064 55 -2.036 0.008 TTT
Au54Si 2.049 10664.280 vasp -0.000 -168.778 2654.442 0.011 -168.778 -2.884 -165.064 55 -1.163 0.007 TTT