Despite the challenges of developing efficient photocatalysts for water splitting, we demonstrate that MgSiO3 perovskite oxide, under applied external stress, significantly enhances photocatalytic activity. The use of earth-abundant and low-cost photocatalysts for high-efficiency photocatalytic water splitting is extremely important. Using density functional (DFT) calculations, we present increased photocatalytic water splitting activity of MgSiO3 perovskite oxide by applying external stress. Our findings indicate that raising the concentrations of pressure can lower the lattice constants and volume of MgSiO3. An anisotropic elastic material with high stiffness that changes from brittle to ductile at high pressure (10–30 GPa). It is stable under various circumstances owing to its high Debye temperature, thermal conductivity, and melting temperature, all of which are thermodynamic properties. MgSiO₃ is an indirect bandgap (Γ →R) p-type semiconductor with a band gap energy is 2.627 eV at 0 GPa. However, the band gap energies increase as enhanced stress is confirmed by its electronic characteristics, making it appropriate for photocatalytic water-splitting applications. Strong anisotropy, effective light absorption, and reflective properties were revealed by optical investigations, which bode well for photocatalytic applications. Moreover, the optical conductivity suggests its potential for light amplification by showing a gain behavior in the visible light region. Crucially, because of its advantageous band-edge placements, MgSiO₃ shows great promise for photocatalytic water-splitting applications. This work paves the path for more investigation into effective water-splitting technologies by demonstrating the multidimensional properties and novel and inventive nature of MgSiO3 under high pressure, as well as by demonstrating its feasibility for a variety of photocatalytic applications.