  We have looked into the structural, mechanical, optoelectronic,
superconducting state and thermophysical aspects of intermetallic compound
Zr$_3$Ir using the density functional theory (DFT). Many of the physical
properties, including direction dependent mechanical properties, Vickers
hardness, optical properties, chemical bonding nature, and charge density
distributions, are being investigated for the first time. According to this
study, Zr$_3$Ir exhibits ductile features, high machinability, significant
metallic bonding, a low Vickers hardness with low Debye temperature, and a
modest level of elastic anisotropy. The mechanical and dynamical stabilities of
Zr$_3$Ir have been confirmed. The metallic nature of Zr$_3$Ir is seen in the
electronic band structures with a high electronic energy density of states at
the Fermi level. The bonding nature has been explored by the charge density
mapping and bond population analysis. The tetragonal Zr$_3$Ir shows a
remarkable electronic stability, as confirmed by the presence of a pseudogap in
the electronic energy density of states at the Fermi level between the bonding
and antibonding states. Optical parameters show very good agreement with the
electronic properties. The reflectivity spectra reveal that Zr$_3$Ir is a good
reflector in the infrared and near-visible regions. Zr$_3$Ir is an excellent
ultra-violet (UV) radiation absorber. High refractive index at visible photon
energies indicates that Zr$_3$Ir could be used to improve the visual aspects of
electronic displays. All the optical constants exhibit a moderate degree of
anisotropy. Zr$_3$Ir has a moderate melting point, high damage tolerance, and
very low minimum thermal conductivity. The thermomechanical characteristics of
Zr$_3$Ir reveal that it is a potential thermal barrier coating material. The
superconducting state parameters of Zr$_3$Ir are also explored.
