We used the RASPA2 software for calculations such as Widom insertion and surface area calculation. For the Voronoi sampling technique, we used the Zeo++ software to determine the positions of the Voronoi nodes. All the calculations were done by considering the CoRE MOF 2019 22 structures as rigid. In order to speed up the surface sampling, our algorithm exploits the symmetry of the material, looping over all symmetry-inequivalent atoms. Since the space groups (and symmetry operations) of the nanoporous structures in the CoRE MOF database were not specified, we used a Python script based on the Spglib library to determine them. The unique atoms are defined according to the symmetry determined by the aforementioned Python script.