We created a dictionary of Au AEs (Figure ) that contains all AE typical of different shape NPs. In particular, we calculated the SOAP atomic spectra of two ideal icosahedral Au NPs: Ih 309 , simulated in Figures , and a larger one composed of 923 Au atoms (Figure , right: in blue). We also calculated the SOAP atomic spectra of three decahedra composed of 348 (Dh 348 , simulated in the next section), 1086 and 1734 Au atoms, and two truncated octahedra, composed of 309 (To 309 , simulated in the next sections) and 807 Au atoms (To 807 ). In the AE dictionary, we also added an additional To 976 (not included in the figure). Such a collection of NPs allowed us to maximize the number of sample AEs, obtaining a complete SOAP dictionary for Ih, Dh, and To Au NPs.