The crystal and electronic band structure of the diamond-like semiconductor Ag2ZnSiS4

► The structure of Ag2ZnSiS4 is solved and refined in the space group Pn using single crystal X-ray diffraction. ► Electronic band structure calculations show that Ag2ZnSiS4 is a direct band gap semiconductor with a calculated band gap of 1.88 eV. ► The optical band gap of Ag2ZnSiS4 was experimentally determined as 3.28 eV.