ASE database

Displaying rows 1-25 out of 594
Formula ✕ str_E ✕ plane_index ✕ Volume ✕ Charge ✕ atom_E ✕ ads_E ✕ Age ✕ Calculator ✕ Number of atoms ✕
Au54H -168.070 100 2654.442 0.000 -1.117 -1.889 15M vasp 55
Au54He -165.069 100 2654.442 0.000 0.002 -0.007 15M vasp 55
Au54Li -168.230 100 2654.442 0.000 -0.299 -2.868 15M vasp 55
Au54Be -169.147 100 2654.442 0.000 -0.039 -4.044 15M vasp 55
Au54B -171.055 100 2654.442 0.000 -0.349 -5.643 15M vasp 55
Au54C -171.207 100 2654.442 0.000 -1.248 -4.895 15M vasp 55
Au54N -170.577 100 2654.442 0.000 -3.124 -2.390 15M vasp 55
Au54O -169.926 100 2654.442 0.000 -1.533 -3.329 15M vasp 55
Au54F -168.695 100 2654.442 0.000 -0.424 -3.208 15M vasp 55
Au54Ne -165.085 100 2654.442 0.000 -0.013 -0.009 15M vasp 55
Au54Na -167.652 100 2654.442 0.000 -0.225 -2.363 15M vasp 55
Au54Mg -167.509 100 2654.442 0.000 -0.004 -2.441 15M vasp 55
AlAu54 -169.611 100 2654.442 0.000 -0.295 -4.253 15M vasp 55
Au54Si -170.944 100 2654.442 0.000 -0.830 -5.051 15M vasp 55
Au54P -171.031 100 2654.442 0.000 -1.888 -4.079 15M vasp 55
Au54S -169.906 100 2654.442 0.000 -0.945 -3.898 15M vasp 55
Au54Cl -167.868 100 2654.442 0.000 -0.243 -2.562 15M vasp 55
Au54Ar -165.095 100 2654.442 0.000 -0.025 -0.005 15M vasp 55
Au54H -168.428 100 2654.442 0.000 -1.117 -2.247 15M vasp 55
Au54He -165.069 100 2654.442 0.000 0.002 -0.007 15M vasp 55
Au54Li -167.904 100 2654.442 0.000 -0.299 -2.541 15M vasp 55
Au54Be -167.816 100 2654.442 0.000 -0.039 -2.713 15M vasp 55
Au54B -169.754 100 2654.442 0.000 -0.349 -4.341 15M vasp 55
Au54C -170.497 100 2654.442 0.000 -1.248 -4.185 15M vasp 55
Au54N -170.360 100 2654.442 0.000 -3.124 -2.172 15M vasp 55