In recent decades, a large number of inorganic compounds have been synthesized and their study has given much information about structure-property relationships in the field of semiconductor cluster or Zintl compounds. The structures and properties associated with main group intermetallics found in the boundary region between metals and non-metals have generated interest within the solid state community. The term "Zintl phase" refers to a class of compounds and is used to recognize contributions to the field of solid-state inorganic chemistry by E. Zintl. Zintl phases were initially defined as a subgroup of intermetallic phases where the anions or anionic network could be considered formally to be valence satisfied. These compounds are made up of electropositive elements from groups 1and 2 that, in a formal sense, donate their electrons to the electronegative elements from groups 13, 14, and 15, which use them to form the correct number of bonds such that each element has a filled shell.

using the pseudopotential plane wave approach based on density functional theory (DFT) method within the generalized gradient approximation developed by Wu–Cohen (GGA-WC), the structural and thermodynamic properties of the Zintl phase KAsSn have been presented. The calculated lattice constants agree reasonably with the available experimental and other theoretical data.  The effect of high pressure on the structural parameters has been shown. Through quasi-harmonic approximation in rang 0-20 GPa and 0-1000K, the thermal effect on the heat capacity Cv, free energy, and Debye temperature has been performed.