We performed our entire analysis twice over, using both the spectrum normalized to the post-edge absorption value (to 50 eV after the edge location, as determined by FEFF) and the spectrum normalized to the maximum value of absorption (as performed by Carbone and Zheng and Chen et al. ). All figures from analysis using the max-normalized spectra are in the supplemental material. The Bader charge of each atom is computed by partitioning a three-dimensional charge density distribution of a material at its zero-flux surfaces, and computing the total charge within each partition . Electron densities data from the MP and the OQMD, both circa 2017, are used for our Bader charge dataset. This data is only available for a subset of the structures used for the XANES, coordination number, and mean nearest neighbor datasets. For just the Bader charge prediction model, we add another screening criteria for the dataset, only allowing structures which had similar Bader charge values (less than 0.07 difference) between atoms of the same species within the unit cell. See the SI for more preprocessing details. We also note that the MP and OQMD DFT calculations use slightly different parameters, such as plane-wave basis set cutoff fidelity, pseudopotential choice, k-point grid, or convergence criteria. There is a resulting mean absolute difference of 0.07 charge units for Bader charges between MP and OQMD structures identified as identical.