Figure 7.

Comparison of $\delta \overline{a}$ computed from DFT vs. experimental values from ICSD. Solid black squares and empty green triangles are Materials project data and our QE data for non-magnetic materials (excluding Cd-based materials), respectively. Our data includes those in this study and our previous work³⁰. Gray regions indicate 1 standard deviation of the computed $\delta \overline{a}$. Predictions for magnetic systems and Cd can be found in the SI.