Engineering Physics Annotation << Back ZONE STRUCTURE AND CHEMICAL BONDING IN CUCRS2 A.D. DAVLETSHINA, R.A. YAKSHIBAEV, N.N. BIKKULOVA, G.R. AKMANOVA, D.I. SAFARGALIEV, A.R. KURBANGULOV This paper presents the results of calculating the band structure, density of states, and electron density distribution in a two-dimensional superionic conductor CuCrS2 at temperatures of 300 K and 673 K within the framework of the electron density functional theory using the Quantum Espresso software package. The calculations were performed for a hexagonal structure (R3m). Based on the data obtained, it was concluded that these compounds are semiconductors, and the chemical bond is predominantly covalent. Keywords: superionic conductivity, band structure, chemical bond, hybridization. DOI: 10.25791/infizik.5.2021.1202 Pp. 03-09.