Figure 4: Crosses show the DFT mixing energies (per formula unit) for C2xB1􀀀xN1􀀀x congurations and the red line represents the average mixing energies calculated for a converged sample of random congurations using a cluster expansion model. Inset shows the mixing energies predicted by the model versus DFT for C2xB1􀀀xN1􀀀x.

Figure 4: Crosses show the DFT mixing energies (per formula unit) for C2xB1􀀀xN1􀀀x
congurations and the red line represents the average mixing energies calculated for
a converged sample of random congurations using a cluster expansion model. Inset
shows the mixing energies predicted by the model versus DFT for C2xB1􀀀xN1􀀀x.