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Lead-free double perovskite materials (viz. Cs$_2$AgInCl$_6$) are beingexplored as stable and non-toxic alternatives of lead halide perovskites. Inorder to expand the optical response of Cs$_2$AgInCl$_6$ in visible region, wereport here the stability, electronic structure and optical properties ofCs$_2$AgInCl$_6$ by sublattice mixing of various elements. Here, we haveemployed %high-throughput screening using a hierarchical first-principles basedapproach starting from density functional theory (DFT) with appropriateexchange-correlation functionals to beyond DFT methods under the framework ofmany body perturbation theory (viz. G$_0$W$_0$@HSE06). We have started with 32primary set of combinations of metals M(I), M(II), M(III) and halogen X atAg/In and Cl site, respectively, where concentration of each set is varied tobuild a database of nearly 140 combinations. The most suitable mixedsublattices are identified to engineer the band gap of Cs$_2$AgInCl$_6$ to haveits application in optoelectronic devices under visible light.

Sublattice mixing in Cs$_2$AgInCl$_6$ for enhanced optical properties from first-principles