To further interrogate the quality of the optimized structures, gravimetric and volumetric surface areas were calculated and compared to the surface areas of the original CoRE structures. Overall, the surface areas of the optimized structures follow a similar distribution to the experimental structures. In the volumetric surface area of lattice optimized structures, there is a conspicuous dip around 800-1200 m 2 /cm 3 . This occurs for one of two reasons: Firstly, after optimization, structures shrink marginally, as measured by comparing initial and final unit cell volumes, which results in 20-25% of structures in this region having a pore size that is no longer adequate to fit the nitrogen probe molecule (r=1.86 Å), or structures undergo distortion resulting in a smaller pore -e.g. a wine-rack distortion (e.g. REFCODE TURDIV_clean 67 ). To further interrogate the quality of the optimized structures, gravimetric and volumetric surface areas were calculated and compared to the surface areas of the original CoRE structures. Overall, the surface areas of the optimized structures follow a similar distribution to the experimental structures. In the volumetric surface area of lattice optimized structures, there is a conspicuous dip around 800-1200 m 2 /cm 3 . This occurs for one of two reasons: Firstly, after optimization, structures shrink marginally, as measured by comparing initial and final unit cell volumes, which results in 20-25% of structures in this (b) (a)