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. 2020 Jul 31;59(16):11704–11714. doi: 10.1021/acs.inorgchem.0c01593

Figure 4.

Figure 4

Scaled energies per formula unit of (Cu1/2Au1/2)CN (blue circles) and (Ag1/2Au1/2)CN (red circles) for the different crystallographic models (AJ) plotted as a function of the number of nearest-neighbor heterometallic atoms, N, relative to the model with the lowest energy. Values are taken from Table S.5 using DFT vdW-2 calculations.