We compute the geometric pore volume using Zeo++ 48 from the experimental structures retrieved from the CSD database after computational desolvation via the CSD Python API. If more than one crystal structure matches a given NIST-ISODB adsorbent, we select the crystal structure with the largest geometric pore volume as a reference. Supplementary Figure SI-1 reports the geometric pore volumes for the structures of those adsorbents associated with more than one CSD entry. The difference in pore volume is often small, i.e., below 10 % in more than 80 % of the cases.