Delaunay triangulation is well suited for adsorption site identification as it produces a consistent graph of the connectivity. One exception to this is when the triangulation is applied to a square or rectangular configuration, resulting in two possible equivalent triangulations. To eliminate this ambiguity, each triangle is checked for right angles. When two triangles are found with opposite right angles, the bridge and hollow sites they contain are replaced with a single 4-fold site in the center of the square. The various sites identified from this process are illustrated in Figure . This is well suited for systems with pure compositions, but could po-tentially result in under-specified symmetry for multi-component systems. Adsorption site enumeration has been carried out for 93,980 configurations of single atom adsorption on metal and bimetallic alloy surfaces. These calculations represent the enumerations of possible active sites which come from the A1, L1 2 fcc, and L1 0 body centered tetragonal configurations of 37 metal species. For the A1 and L1 2 structures, the (111) surface termination was chosen. For the L1 0 structure, the (101) termination was chosen, although this cleave is also commonly referred to as the (111) Miller index which is true when producing the cleave from certain 4 atom unit cells. This confusion can be avoided by using the crystallographic conventional standard cell when reporting Miller indices. Additional discussion of this topic and the bulk structures used are provided in the SI file.