Finally, we analyze the various structural and dynamic properties of the polymer electrolytes. Figure (a) visualizes the transference number (calculated with the cluster Nernst-Einstein methodology) against the fraction of charged carriers colored by the computationally calculated ionic conductivity at 415 K temperature (same color bar for Figure ) charts). The fraction of charged carriers ( N + +N - N , where N + , N -, N are the number of positive charge carrying species (clusters and singular ions), number of negative charge carrying species (clusters and singular ions) and total number of ions in the simulation) and can be seen as a proxy to the Li solvation capability of the polymer. When the fraction of charged carriers is lower than 1, there are neutral (Li and TFSI) clusters that carry a net neutral charge and do not contribute to overall ionic conductivity. Across the whole chemical space, there is a strong split both in transference number and the fraction of charged carriers. This split happens to be mostly across the polymers that have high and low ionic conductivity. Furthermore, there is a negative linear trend (with SiMEME and SiMEPR as exceptions) for the transference number with the fraction of charged carriers. The lower the number of free, charged carriers in the system, the higher the transference number. As mentioned before, a smaller population of free, charged carriers implies a weak solvation of Li in the system, which in turn means that Li is able to move more freely across the system. This in itself would be great, yet this also implies that Li forms neutral clusters with the negatively charged species (TFSI), thus decreasing the overall amount of charge carriers in the system. Figure (b) visualizes the polymer CRU diffusivity against the Li diffusivity, with a parity line to mark where the ratio of Li diffusivity to CRU diffusivity is 1. Polymers on the parity line conduct Li ion through majority segmental motion, as both the diffusion terms are the same. Polymers that are to the right of the line will have a contribution from Li diffusion through polymer segment mobility as well as other mechanisms (such as ion hopping). We further look into polymer electrolyte structure relationships via average coordination number against average coordination shell radius (i.e. distance of the farthest coordinating atom in the convex hull) (Figure (c)). While there is no clear overarching trend across the polymer space, there are underlying trends of the slower ionic conductors (with PCL, CSSAX1, SiMEME and SiMEPR as exceptions) and faster ionic conductors. For the same coordination shell size, high ionic conductivity polymers have a larger coordination number than low ionic conductivity polymers. This implies that the Li ions are surrounded by more solvating atoms (such as oxygen or sulfur) and as such exhibit higher solvation of Li (from Figure (a)) which leads to there being more free charge carriers to contribute to total ionic conductivity.