Subsequently, the contributions of other descriptors can be positive, negligible, or negative depending on the domain where the values of the descriptor lie. For instance, the average pore size and largest cavity diameter need to be within specific ranges to maximize the likelihood of maintaining selectivity at higher pressure, aligning with previous studies emphasizing the importance of pore sizes similar to xenon for Xe/Kr separation. The difference in entropy between ambient temperature and 900 K is a surprising descriptor that separates selective structures based on whether its value falls within a specified range. Similarly, the difference in void fraction occupied by xenon and krypton is intriguing as it impacts selectivity differently depending on whether the structure is highly selective or not, with the contribution being more or less proportional to its value. Various methods of measuring the disparity of the PSD and interaction energy distribution play a key role in identifying highly selective structures (indicated in blue on the dependence plot in Figure ) that either maintain or decrease in selectivity. These methods include calculating the difference between the average pore size and the LCD, as well as the standard deviation of the PSD or Boltzmann-weighted energy distribution, which exhibits distinct behaviors based on the domain in which the value lies.