Possible applications of Mo2C in the orthorhombic and hexagonal phases explored via ab-initio investigations of elastic, bonding, optoelectronic and thermophysical properties

•A large number of hitherto unexplored physical properties of Mo2C are studied for the first time.•Both orthorhombic and hexagonal Mo2C are hard, ductile, and highly machinable.•Both orthorhombic and hexagonal Mo2C are metallic with a strong electronic correlation in the orthorhombic phase.•Mo2C in both structures is mechanically and dynamically stable.•The thermophysical properties are consistent with elastic and bonding properties.•Reflectivity, refractive index, and absorption spectra show features suitable for optical applications.