Density functional calculations, electronic structure, high pressure chemistry, solid-state structures, superconductors Keywords: density functional calculations; electronic structure; high pressure chemistry; solid-state structures; superconductors EN density functional calculations electronic structure high pressure chemistry solid-state structures superconductors 14788 14788 1 10/29/21 20211025 NES 211025 B Exotic physical properties b are often exhibited by compounds crystallizing in the ubiquitous ThCr SB 2 sb Si SB 2 sb structure type illustrated in the picture.