We would like to note that our goal is not to model CO or HCOOH, nor a specific reaction mechanism. Rather, the objective of this analysis is to discover what surface properties of the metal describe and determine CO 2 RR product selectivity. Testing the multitude of descriptors described in the section above left us with a substantial dataset. We then applied Principal Component Analysis (PCA) to our dataset, in order to find the grouping of metal catalysts according to their major product selectivity. PCA allows us to perform dimensionality reduction on our dataset while still explaining and retaining most of the information and variance in our dataset. However, PCA gen-erally does not do well with missing data points. For this reason, it was decided only to do the analysis for 11 different elements and 22 different features.