First principles investigations of the electronic structure and chemical bonding of U3Si2C2 - A uranium silicide-carbide with the rare [SiC] unit

► For the rare silicide-carbide U3Si2C2, experimental data are best reproduced with GGA + U = 4 eV. ► High linear incompressibility along the c-axis is identified with Si-C alignment leading to anisotropy. ► Chemical bonding is specific of the uranium sites with dominant U1-Si and U2-C. ► Major Si-C bonding contributions characterize the compound.