In the present work, the structural, electronic and mechanical properties of LiVCuO 4 and LiCu 2 O 4 spinel type multiferroics have been investigated by means of first principles calculations. The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The structural optimization of these multiferroics compounds has been performed by using VASP-code, and the lattice parameters and magnetic moments have been calculated. From our calculation, it has been determined that the LiVCuO 4 compound is a narrow band gap semiconductor, while the LiCu 2 O 4 compound is metallic in nature. Considering the spin states from the electronic band structure and density of the state (DOS) of the LiVCuO 4 compound, it has been identified that E g ¼1.87 eV for spin up and E g ¼0.37 eV for spin down. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work.