ASE database

Displaying rows 26-8 out of 8
Formula ✕ plane_index ✕ Username ✕ PBC ✕ ads_E ✕ Maximum force ✕ Magnetic moment ✕ Calculator ✕ Volume ✕ Mass ✕ slab_E ✕
Au54O 100 hecc TTT -3.356 0.008 -0.000 vasp 2654.442 10652.194 -165.064
Au54F 100 hecc TTT -3.390 0.007 0.000 vasp 2654.442 10655.193 -165.064
Au54Ne 100 hecc TTT -0.008 0.009 0.000 vasp 2654.442 10656.374 -165.064
Au54Na 100 hecc TTT -2.150 0.007 0.000 vasp 2654.442 10659.184 -165.064
Au54Mg 100 hecc TTT -1.750 0.010 0.000 vasp 2654.442 10660.500 -165.064
AlAu54 100 hecc TTT -3.303 0.010 -0.000 vasp 2654.442 10663.176 -165.064
Au54Si 100 hecc TTT -4.042 0.004 -0.000 vasp 2654.442 10664.280 -165.064
Au54P 100 hecc TTT -3.107 0.009 -0.000 vasp 2654.442 10667.168 -165.064
Au54S 100 hecc TTT -3.427 0.005 0.000 vasp 2654.442 10668.255 -165.064
Au54Cl 100 hecc TTT -2.748 0.005 0.000 vasp 2654.442 10671.645 -165.064
Au54Ar 100 hecc TTT -0.004 0.008 0.000 vasp 2654.442 10676.143 -165.064
Au54H 100 hecc TTT -1.953 0.009 -0.000 vasp 2654.442 10637.203 -165.064
Au54He 100 hecc TTT -0.005 0.008 0.000 vasp 2654.442 10640.197 -165.064
Au54Li 100 hecc TTT -2.265 0.005 -0.000 vasp 2654.442 10643.135 -165.064
Au54Be 100 hecc TTT -1.631 0.007 0.000 vasp 2654.442 10645.207 -165.064
Au54B 100 hecc TTT -2.999 0.007 0.000 vasp 2654.442 10647.005 -165.064
Au54C 100 hecc TTT -2.695 0.010 0.000 vasp 2654.442 10648.206 -165.064
Au54N 100 hecc TTT -0.767 0.005 0.000 vasp 2654.442 10650.202 -165.064
Au54O 100 hecc TTT -2.278 0.009 0.000 vasp 2654.442 10652.194 -165.064
Au54F 100 hecc TTT -3.022 0.008 -0.000 vasp 2654.442 10655.193 -165.064
Au54Ne 100 hecc TTT -0.004 0.007 0.000 vasp 2654.442 10656.374 -165.064
Au54Na 100 hecc TTT -1.952 0.008 0.000 vasp 2654.442 10659.184 -165.064
Au54Mg 100 hecc TTT -1.273 0.010 -0.000 vasp 2654.442 10660.500 -165.064
AlAu54 100 hecc TTT -2.745 0.008 0.000 vasp 2654.442 10663.176 -165.064
Au54Si 100 hecc TTT -2.884 0.007 -0.000 vasp 2654.442 10664.280 -165.064