Multifunctional integration research on metastructures has become the current development trend and hotspot, especially satellite platforms and hypersonic aircraft in the aerospace field. A 3D bi-directional auxetic square metastructure (BASM) with the programmable coefficient of thermal expansion (CTE) and Poisson's ratio (PR) is designed through the combination of re-entrant hexagonal structures and bi-material triangles. Specimens in the form of the 1*2 array are designed and fabricated through 3D printing. The correctness of the results of finite element analysis (FEA) of the BASM is verified by uniaxial compression experiments. Additionally, FEA is adopted to investigate the effective mechanical properties of the BASM with the form of the 2*3 array, and deformation mechanisms are further explored. Results indicate that the CTE, PR, and stiffness of the BASM depend on material combinations and geometric parameters. Under thermal and mechanical loads, the BASM achieves bi-directional regulation of the CTE and PR, encompassing both axial and circumferential deformations. Notably, the deformation mechanisms and critical conditions of the BASM are explored under the thermo-mechanical load. A novel strategy for programming the PR of the BASM is proposed in addition to changing the geometric parameters and the material combinations.