  Structural, elastic, electronic properties and the features of inter-atomic
bonding in hypothetical Ir-based carbides-antiperovskites Ir3MC (M=Ti, Zr, Nb
and Ta), as predicted from first-principles calculations, have been
investigated for a first time. Their elastic constants, bulk, shear and Young`s
moduli, compressibility, Poisson`s ratio, Debye temperature have been
evaluated, and their stability, character of elastic anisotropy, brittle /
ductile behavior, as well as electronic structure have been explored in
comparison with binary carbides MC having NaCl-type structure. Authors hope
that the presented results will be useful for future synthesis of these phases,
as well as for extending the knowledge about the group of antiperovskite-type
promising materials.
