First-principles calculations were performed to study the structural, elastic, electronic properties and Debye temperature of D022-Ni3V under pressure. The obtained structural parameters are in accord with previous data. The calculated elastic constants manifest that Ni3V binary compound is mechanically stable. Using the Voigt–Reuss–Hill method, elastic properties such as bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio υ are calculated. And results indicate that pressure can improve the hardness of Ni3V compound. Moreover, the density of states as a function of pressure is analyzed, and Population analysis explain the improvement of hardness by pressure from the view of chemical bonds. The Debye temperature ΘD calculated from elastic constants goes up with the increasing pressure. Display omitted •Structural, elastic, electronic properties and Debye temperature under various pressures.•Higher hardness of Ni3V compound may be obtained when pressure increases.•The electronic properties under pressure reveal the reason for improvement of hardness.•Debye temperatures increase with increasing pressure.