Figure displays energy-productivity Pareto could for our materials from this group compared to the 13X zeolite from our previous publication . The results demonstrate that the performance of our top MOFs is significantly better than that of the reference 13X zeolite. Additionally, we compare the Pareto cloud of our materials to those of computationally designed ion-exchange LTA zeolites from our previous publication ; the results are shown in Figure . Again, overall, we are able to achieve a better performance using MOFs from this study as adsorbents. What are these MOFs and what is the origin of their performance as assessed by using the process simulations? Figure shows the distribution of selected structural characteristics of the optimal MOFs compared to those in the CoRE MOF database , used as a benchmark. From Figure , we observe two distinct peaks in the distribution of all structural properties, indicating two groups of structures: one with lower values of pore volume, Largest Cavity Diameter (LCD), and Pore Limiting Diameter (PLD), and another with higher values of pore volume, LCD, and PLD, compared to the distribution of these properties in the CoRE MOF database used as a reference.