Theoretical prediction of the structural, elastic, electronic and thermal properties of the MAX phases X2SiC (XÂ =Â Ti and Cr)

► The computed CV, CP, unit cell volume and bulk modulus using the quasi-harmonic Debye model calculations were predicted. ► These compounds are electrical conductors, behave as ductile material and illustrate a stronger anisotropy. ► Our results of elastic constants, sound velocities and Debye temperature are predictions.