ASE database

Displaying rows 1-25 out of 594
Formula ✕ Username ✕ slab_E ✕ atom_E ✕ ads_E ✕ PBC ✕ Charge ✕ Energy ✕
Au54H hecc -165.064 -1.117 -1.889 TTT 0.000 -168.070
Au54He hecc -165.064 0.002 -0.007 TTT 0.000 -165.069
Au54Li hecc -165.064 -0.299 -2.868 TTT 0.000 -168.230
Au54Be hecc -165.064 -0.039 -4.044 TTT 0.000 -169.147
Au54B hecc -165.064 -0.349 -5.643 TTT 0.000 -171.055
Au54C hecc -165.064 -1.248 -4.895 TTT 0.000 -171.207
Au54N hecc -165.064 -3.124 -2.390 TTT 0.000 -170.577
Au54O hecc -165.064 -1.533 -3.329 TTT 0.000 -169.926
Au54F hecc -165.064 -0.424 -3.208 TTT 0.000 -168.695
Au54Ne hecc -165.064 -0.013 -0.009 TTT 0.000 -165.085
Au54Na hecc -165.064 -0.225 -2.363 TTT 0.000 -167.652
Au54Mg hecc -165.064 -0.004 -2.441 TTT 0.000 -167.509
AlAu54 hecc -165.064 -0.295 -4.253 TTT 0.000 -169.611
Au54Si hecc -165.064 -0.830 -5.051 TTT 0.000 -170.944
Au54P hecc -165.064 -1.888 -4.079 TTT 0.000 -171.031
Au54S hecc -165.064 -0.945 -3.898 TTT 0.000 -169.906
Au54Cl hecc -165.064 -0.243 -2.562 TTT 0.000 -167.868
Au54Ar hecc -165.064 -0.025 -0.005 TTT 0.000 -165.095
Au54H hecc -165.064 -1.117 -2.247 TTT 0.000 -168.428
Au54He hecc -165.064 0.002 -0.007 TTT 0.000 -165.069
Au54Li hecc -165.064 -0.299 -2.541 TTT 0.000 -167.904
Au54Be hecc -165.064 -0.039 -2.713 TTT 0.000 -167.816
Au54B hecc -165.064 -0.349 -4.341 TTT 0.000 -169.754
Au54C hecc -165.064 -1.248 -4.185 TTT 0.000 -170.497
Au54N hecc -165.064 -3.124 -2.172 TTT 0.000 -170.360