Predicted enthalpies and entropies of formation of B2 and σ end-members at 298 K.

Energies are shown in units of J/mol-formula and atom with the most stable end-members shown in bold text. Also, energies taken with respect to standard states are denoted with SER. Energies used for CALPHAD modeling are taken with different reference states depending on the sublattice models used. B2 formation energies are calculated with respect to the bcc phase of the pure elements. For σ, energies are taken with respect to the fcc phase in the first sublattice, bcc in the second and bcc in the third; same as the sublattice model implemented in the current work.Predicted enthalpies and entropies of formation of B2 and σ end-members at 298 K.