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The elastic, thermodynamic, and optical properties of Mo_{2}TiAlC_{2} areinvestigated by first-principles calculations. Our results indicate that the aaxis is stiffer than c axis within 0~100 GPa. Elastic constants calculationspredict the large stability range of Mo_{2}TiAlC_{2} under pressure. Severalimportant thermodynamic properties are discussed detailedly, including theDebye temperature, thermal expansion coefficient, and heat capacity etc. Thebonding properties are studied from the elastic quantities and electronicproperties. The electronic properties are investigated, including the energyband structure, density of states, and so on. The evidence of the instabilityof Mo_{3}AlC_{2} and stability of Mo_{2}TiAlC_{2} are successfully obtained.

Evidence of the stability of Mo_{2}TiAlC_{2} from first principles calculations and its thermodynamical and optical properties