The chalcogenidometalates materials of the main group have attracted considerable interest,because of their unique topologic structures and integrating properties of unique catalysis,adsorption,ion exchange,photoconductor,photoluminescence,nonlinear optics and semiconductor properties.Recently,numerous unique organic-inorganic hybrid chalcogenide materials with novel structures from 1-D to 3-D had been synthesized,such as polymeric indium telluride [(C4H9)4N]InTe2,[La(en)4Cl]In2Te4,[M(en)3]In2Te6(M)Fe,Zn),[Ni(dap)3]0.5[InS2].However,to our best knowledge,only a few theoretical study of these complexes have appeared so far.In this paper,Density functional theory calculations were performed by using Gaussian03 suite of programs for [{In(dien)}2(InTe4)].Cl(1)and [La(en)4Cl]In2Te4(2).To further investigate the electronic structure,the band structure and density of state(DOS)were performed by the computer code Castep.The calculated gap for complex 1 from HOMO to LUMO is 2.36 eV which is very close to 2.42 eV obtained in the experiment and exhibits semiconducting property.The valence band(VB)is dominated by the Te 5p block,whereas the conduction band(CB)is primarily In 5p orbital in character.Notably,the contribution from C,N,H atoms near the Fermi level is almost negligible.