The reaction enthalpies and viable chemical reactions were accessed using multi-component phase diagrams based on first-principles DFT calculations. For the construction of these phase diagrams, we use the methodology exposed in Ref. 65. We assume that the two materials combined into a heterogeneous interface may react to form products under thermodynamic equilibrium. In particular, consider an arbitrary reaction of the type xc a + of Eq. 7 can be approximated as a descriptor for the spontaneity of the reaction between two materials a and b. Thus, the more negative the quantity ∆H [c a , c b ], the greater the thermodynamic driving force for the interface to decompose into c eqm .