In this paper, the effect of different synthesis methods, such as controlled precipitation (CP), sonochemical (SC), hot solution ion injection with fast cooling, and conventional hydrothermal (CH) in obtaining beta-disilver molybdate (β-Ag 2 MoO 4 ) are explained in details. X-ray diffraction patterns, Rietveld refinement data, cluster modeling, micro-Raman, and Fourier transform infrared spectroscopies confirmed that all β-Ag 2 MoO 4 crystals have a spinel-like cubic structure, space group (Fd 3 m), and symmetry point group (O 7 h ). Field emission scanning electron microscopy (FE-SEM) images showed that through different synthetic routes, it is possible to obtain monophasic crystals, such as regular/irregular polyhedrons (cubes, cuboctahedron, trapezohedron, rhombic dodecahedron), potatoes, and non-uniform. The crystal shape observed experimentally was modeled based on Rietveld refinement data and FE-SEM images obtained by KrystalShaper. First-principles quantum mechanical calculations based on density functional theory were employed to modulate the surfaces of the material and to obtain their surface energy (E surf ) values. From these E surf values in association with the Wulff construction, the evolution of the crystals shape was achieved correlating with the experimental results when different synthesis methods are used. Ultraviolet-Visible (UV-Vis) spectroscopy measurements in absorbance mode showed three main absorptions (280, 310, and 340 nm), while the UV-Vis analyses in diffuse reflectance mode showed a tail of energy absorption in the UV spectrum range (3.25 eV and 3.3 eV). The quantitative data from the colorimetric analysis indicated that the β-Ag 2 MoO 4 crystals are desirable for developing inorganic pigments with a beige to brown shade. Photocatalytic assays were performed using four lamps: UV-C, UV-B, UV-A, and visible light. The β-Ag 2 MoO 4 crystals prepared by the CP method showed a higher degradation rate at 85.12% for the rhodamine B dye solution under 240 min exposure to UV-C light.