First-principles calculations of elastic and electronic properties of tetragonal Th2NiC2 as a parent phase for new superconductors

► Very recently discovered superconducting Th2NiC2 is probed from first principles. ► Structural, elastic, electronic properties and inter-atomic bonding are evaluated. ► An increase in N(EF) (and, probably, in TC) may be achieved also by electron doping.