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Biological and Chemical Physics Commons Catalysis and Reaction Engineering Commons Engineering Physics Commons Materials Science and Engineering Commons , and the Physical Chemistry Commons

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Figure

Figure 1. CE distinctive 1-body or symmetry inequivalent sites in thebrg, and 24 hcp sites
Figure 2. Ground-state hulls with DFT-evaluatedof the Ef as a function of Rh composition, cRh
Figure 3. Selected configurations on the GS hull (Figure 2) at different O-coverages: (a) 0, (b) 10, (c) 20, (d) 24, (e) 30, and (f) 40
Figure 4. Optimized ECIs of (a) 1-, 2-, and 3-body with selected ones shown in (b). No data are shown for the indices of the excluded ECIs due tovery short distances
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