Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations

► The elastic and thermodynamic properties of V5Si3 have been investigated. ► The W5Si3-type is stable phase whereas the Cr5B3-type is a metastable phase. ► The electronic structure of V5Si3 shows a strong covalent character of the bonds. ► Debye temperature, heat capacity, and thermal expansion have also been obtained.