Moreover, there is no noticeable difference of RMSE when considering the structures with a pore size above 3.7 Å (as determined by the largest cavity diameter, or LCD). Unlike Voronoi sampling, this method gives a consistent accuracy across all the structures of the database with a lower error. The fact that the RMSE error is below 1 kJ mol -1 is quite promising, and validates our intuition that this new sampling technique can be an intermediate between to the two previous methods (Voronoi and Widom).