In this study, ab initio calculations based on Pseudo-Potential Density Functional Theory (PP-DFT) method arecarried out in order to highlight the partial substitution effect of Rare Earth (RE) elements in the well-known 211-MAX phase of Ti<sub>2</sub>AlC. The considered elements are Y, Sc and RE = La, Ce, Pr, Nd, Sm, Eu, Gd leading to (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC alloys. According to the obtained results, the (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC alloys are significantly less compressibleunder uniaxial stress along x and z axes. They exhibit high resistance to shearing along <001> direction. Inaddition, the calculated heat capacity for (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC alloys increases with respect to the temperature, amaximum is found in the temperature range 200–300 K. Localized states occur in (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC alloys due tothe f states filling of the rare earth elements. The magnetic moment of (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC compounds increasesaccording to 4f n (n=2 for Ce to n=7 for Gd) filling. Our findings provide a theoretical database for new tunableproperties of (Ti<sub>3/2</sub>RE<sub>1/2</sub>)AlC alloys.
