ThCo 4 B compound crystallizes in the hexagonal CeCo 4 B type structure. The electronic structure is calculated based on full-potential local--orbital full-relativistic method. The ab initio calculations showed that small magnetic moments (≈ 0.1 µB/atom) are formed on Th and B atoms, antiparallel to the moments on Co atoms equal to 1.55 and 0.43 µ B /atom for Co(2c) and Co(6i), respectively. The densities of states at the Fermi level are equal to 1.3 and 5.4 states/(eV spin f.u.) for spin up and down, respectively. These values are predominated by Co(3d) electrons. Introduction Recently uranium compounds have attracted interest because of many interesting properties such as the Pauli paramagnetism, spin fluctuations, heavy fermions, magnetic ordering, or superconductivity The aim of this paper is to calculate electronic structure of the ThCo 4 B compound based on a spin-polarized ab initio method
