Mechanical and optical properties of inverse-perovskites Sc3InX (XÂ =Â B, C, N)

► Mechanical, finite-T, P thermodynamic and optical properties of Sc3InX. ► Mulliken bonding population, charge density and hardness are discussed. ► Fermi surfaces of Sc3InX contain both hole- and electron-like topology. ► Dislocation movement at a much reduced rate compared to MAX phases. ► Reflectivity is high up to 10.7 eV (Sc3InB and Sc3InC) and 12.3 eV (Sc3InN).