where we can estimate the relative population occupancy (p) compared to the GM based on the Pt NP's energy (E) and the temperature (T ) of our process. We present the results of this at 298.15 K in figure for all pyGlobOpt structures produced. We note that technically Pt 13 + H 2 and Pt 13 + 2 H 2 have the same stoichiometries as Pt 13 H 2 and Pt 13 H 4 and therefore should be considered in the same ensemble, we keep them separate for two reasons. The primary reason is because the 'on-surface' structures represent a likely initial adsorption LM and therefore are a likely LM that the structures must pass through as catalysis occurs. This way we hope to capture a kinetically important structure if not a thermodynamic one. The other reason to separate the on-surface from in-sphere structures is so we can observe any discrepancies in the types of structures reported by pyGlobOpt while using these different settings.