The invention relates to a compound (A2BCQ4) capable of being used for a thermoelectric material and a preparation method thereof, wherein A is Cu, Ag or Au; B is any one of the divalent ions such as Zn, Cd, Hg, Fe, Ni, Pd and the like, or any one of the trivalent ions such as B, Al, Ga, In and the like; C is any one of the tetravalent ions such as Si, Ge, Sn, Pb and the like or any one of the trivalent ions such as B, Al, Ga, In and the like; and Q is S, Se and Te, or N, P, As and Sb. Properly speaking, the A2BCQ4 belongs to a tetragonal system, has a deformed blende superlattice structure and is similar to chalcopyrite (CuFeS2), and only half of Fe positions is occupied by B while the other half is occupied by C. The unique structure of the compound determines that the material of the type has considerable thermoelectric properties. The compound provided by the invention can be used for the thermoelectric material, has a unique design idea, low-price and readily available raw materials, and a simple preparation process, and the material has superior electric conductivity and superior thermoelectric properties and is a perfect novel thermoelectric candidate material.