ASE database

Displaying rows 1-25 out of 594
Formula ✕ Dipole_val ✕ atom_E ✕ Username ✕ plane_index ✕ Magnetic moment ✕ Charge ✕ ads_E ✕ Volume ✕ PBC ✕
Au54H -0.123 -1.117 hecc 100 0.000 0.000 -1.889 2654.442 TTT
Au54He -0.011 0.002 hecc 100 0.000 0.000 -0.007 2654.442 TTT
Au54Li -2.696 -0.299 hecc 100 -0.000 0.000 -2.868 2654.442 TTT
Au54Be -0.238 -0.039 hecc 100 0.000 0.000 -4.044 2654.442 TTT
Au54B -0.022 -0.349 hecc 100 0.000 0.000 -5.643 2654.442 TTT
Au54C 0.044 -1.248 hecc 100 -0.000 0.000 -4.895 2654.442 TTT
Au54N 0.360 -3.124 hecc 100 -0.000 0.000 -2.390 2654.442 TTT
Au54O 0.594 -1.533 hecc 100 0.000 0.000 -3.329 2654.442 TTT
Au54F 1.029 -0.424 hecc 100 0.000 0.000 -3.208 2654.442 TTT
Au54Ne -0.012 -0.013 hecc 100 0.000 0.000 -0.009 2654.442 TTT
Au54Na -4.669 -0.225 hecc 100 -0.000 0.000 -2.363 2654.442 TTT
Au54Mg -2.555 -0.004 hecc 100 0.000 0.000 -2.441 2654.442 TTT
AlAu54 -0.805 -0.295 hecc 100 -0.000 0.000 -4.253 2654.442 TTT
Au54Si -0.276 -0.830 hecc 100 -0.000 0.000 -5.051 2654.442 TTT
Au54P 0.008 -1.888 hecc 100 0.000 0.000 -4.079 2654.442 TTT
Au54S 0.191 -0.945 hecc 100 0.000 0.000 -3.898 2654.442 TTT
Au54Cl 0.752 -0.243 hecc 100 0.000 0.000 -2.562 2654.442 TTT
Au54Ar -0.077 -0.025 hecc 100 -0.000 0.000 -0.005 2654.442 TTT
Au54H -0.004 -1.117 hecc 100 0.000 0.000 -2.247 2654.442 TTT
Au54He -0.017 0.002 hecc 100 -0.000 0.000 -0.007 2654.442 TTT
Au54Li -3.955 -0.299 hecc 100 0.000 0.000 -2.541 2654.442 TTT
Au54Be -1.093 -0.039 hecc 100 -0.000 0.000 -2.713 2654.442 TTT
Au54B -0.008 -0.349 hecc 100 -0.000 0.000 -4.341 2654.442 TTT
Au54C 0.475 -1.248 hecc 100 0.000 0.000 -4.185 2654.442 TTT
Au54N 0.930 -3.124 hecc 100 0.000 0.000 -2.172 2654.442 TTT