The convex hull located for the DFT search is in Fig. . The shaded region shows the difference in stability between the distorted structures and the most stable icosahedral structures located. The complete core-shell Au 92 Pt 55 structure is located as the most stable for both the EMT and DFT searches. There is good general agreement between the structures obtained elsewhere on the hull, aside from the region of distortion. Further there is broad agreement in the efficiency of the search routines based on the benchmarking and actual searches. Fig 4 shows the convergence profile as a function of each subsequent DFT calculation. The abrupt bend after around 150 calculations corresponds to a particularly favorable chemical ordering that is distributed to all compositions in the following calculations. This is of course an effect of similar chemical ordering across the whole Au-Pt composition range.