“…In contrast, Povoden-Karadeniz et al [ 26 ] simplified the description of B2 (BCC_B2), still with a good reproduction of phase boundaries but without the requirement of substitutional vacancies associated with questionable compound energies, proposing the description (Cu, Ni, Ti) 0.5 (Cu, Ni, Ti) 0.5 (Va) 3 . This model was also used recently to describe phase stabilities in the Ni-Ti-V system in agreement with experiments [ 28 ] and can be used as the matrix phase in thermokinetic simulations. Alternatively, for equilibrium and metastable thermodynamic computations, we propose a 4 sublattice description (Ni) 2 (Ti) 2 (Ni) 1 (Ti, Va) 1 for the same phase, allowing for highly Ti-defective regions in the Ti-understoichiometric Ni-Ti base SMA matrix, as proposed by first-principles analysis, the phase named “FP_B2” in the developed open-source thermodynamic database mc_sma [ 29 ].…”