ASE database

Displaying rows 1-25 out of 31
Formula ✕ Username ✕ Maximum stress ✕ Magnetic moment ✕ Dipole_val ✕ PBC ✕ Maximum force ✕ Number of atoms ✕ Volume ✕ slab_E ✕
Au54H hecc 0.012 0.000 -0.123 TTT 0.008 55 2654.442 -165.064
Au54He hecc 0.011 0.000 -0.011 TTT 0.006 55 2654.442 -165.064
Au54Li hecc 0.011 -0.000 -2.696 TTT 0.008 55 2654.442 -165.064
Au54Be hecc 0.010 0.000 -0.238 TTT 0.008 55 2654.442 -165.064
Au54B hecc 0.011 0.000 -0.022 TTT 0.008 55 2654.442 -165.064
Au54C hecc 0.011 -0.000 0.044 TTT 0.009 55 2654.442 -165.064
Au54N hecc 0.011 -0.000 0.360 TTT 0.008 55 2654.442 -165.064
Au54O hecc 0.011 0.000 0.594 TTT 0.009 55 2654.442 -165.064
Au54F hecc 0.011 0.000 1.029 TTT 0.005 55 2654.442 -165.064
Au54Ne hecc 0.011 0.000 -0.012 TTT 0.010 55 2654.442 -165.064
Au54Na hecc 0.011 -0.000 -4.669 TTT 0.005 55 2654.442 -165.064
Au54Mg hecc 0.010 0.000 -2.555 TTT 0.010 55 2654.442 -165.064
AlAu54 hecc 0.010 -0.000 -0.805 TTT 0.010 55 2654.442 -165.064
Au54Si hecc 0.010 -0.000 -0.276 TTT 0.006 55 2654.442 -165.064
Au54P hecc 0.011 0.000 0.008 TTT 0.006 55 2654.442 -165.064
Au54S hecc 0.011 0.000 0.191 TTT 0.007 55 2654.442 -165.064
Au54Cl hecc 0.011 0.000 0.752 TTT 0.010 55 2654.442 -165.064
Au54Ar hecc 0.011 -0.000 -0.077 TTT 0.006 55 2654.442 -165.064
Au54H hecc 0.011 0.000 -0.004 TTT 0.010 55 2654.442 -165.064
Au54He hecc 0.011 -0.000 -0.017 TTT 0.009 55 2654.442 -165.064
Au54Li hecc 0.012 0.000 -3.955 TTT 0.009 55 2654.442 -165.064
Au54Be hecc 0.012 -0.000 -1.093 TTT 0.009 55 2654.442 -165.064
Au54B hecc 0.011 -0.000 -0.008 TTT 0.009 55 2654.442 -165.064
Au54C hecc 0.011 0.000 0.475 TTT 0.006 55 2654.442 -165.064
Au54N hecc 0.011 0.000 0.930 TTT 0.010 55 2654.442 -165.064