  Boosted by the relentless increase of available computational resources,
high-throughput calculations based on first principles methods have become a
powerful tool to screen a huge range of materials. The backbone of these
studies are well-structured and reproducible workflows efficiently returning
the desired properties given chemical compositions and atomic arrangements as
sole input. Herein, we present a new workflow designed to compute the stability
and the electronic properties of crystalline materials from density-functional
theory using the SCAN approximation for the exchange-correlation potential. We
show the performance of the developed tool exploring the binary Cs-Te phase
space which hosts cesium telluride, a semiconducting material widely used as
photocathode in particle accelerators. Starting from a pool of structures
retrieved from open computational material databases, we analyze formation
energies as a function of relative Cs content and for a few selected crystals,
we investigate the band structures and density of states unraveling
interconnections among structure, stochiometry, stability, and electronic
properties. Our study contributes to the ongoing research on alkali-based
photocahodes and demonstrates that high-throughput calculations based on
state-of-the-art first-principles methods can complement experiments in the
search for optimal materials for next-generation electron sources.
