First-principles calculations for the effect of energetic point defect formation on electronic properties of the Weyl MX family (M = Nb, Ta; X = P, As)

•The unfolding technique was used for the first time to highlight the impact of point defects on the electronic band structure.•The transition metal Nb and Ta vacancies are energetically nearer to stability in the cases of NbAs and TaAs.•The pnictide P vacancy is energetically favorable among four possible point defects in both NbP and TaP.•For TaAs, the Ta vacancy concentration is significantly higher than all other types of defect concentrations.•All four of these compounds are thermodynamically, dynamically, and mechanically stable.