fig2

Figure 2. Formation energy (orange y-axis) and binding energy (cyan y-axis) of (Zr, Ti)-C carbides. (A) Zr₃C₂, Zr₆C₅, ZrC, Zr₅Ti₁C₆, and Zr₄Ti₂C₆ with different stoichiometric ratios; (B) Zr₅Ti₁C₆, Zr₅Ti₁C₅, Zr₅Ti₁C₄, Zr₄Ti₂C₆, and Zr₄Ti₂C₅ by varying the concentrations of Ti and vacancies.