High-entropy alloys (HEAs) materials are well-defined by their formation of at least five or more principal elements in nearly equimolar proportion. These unique newly compositional emerged as promising materials due to their fascinating physicochemical properties and multi-functionality. In contrast to conventional alloys, the intrinsic complexity of high-entropy alloys (HEAs) and oxyhydroxides arises from the substantial configurational entropy, which helps stabilize single-phase structures despite substantial atomic radii and electronegativity differences among constituent elements. Recent studies show that high-entropy oxyhydroxides (HEOHs), show outstanding catalytic activities due to the synergistic interactions among multiple metallic elements. These interactions modify the local electronic environment, optimize adsorption energies of catalytic intermediates (i.e. O*, OH*, OOH*, etc.), and encourage superior catalytic performance compared to traditional single-element or binary systems. For example, single-crystal nanoporous high-entropy (oxy)hydroxides have confirmed enhanced electrocatalytic activities attributed to structural and electronic synergistic effects arising from their high configurational entropy. Computational approaches using density functional theory (DFT), have significantly contributed to explaining the electronic and structural mechanisms governing these improvements. DFT studies on hydrogen storage in HEAs revealed that element-specific electronic interactions intensely affect bonding characteristics and thermodynamic stabilities of the materials. Similarly, computational modeling of lattice distortions in single-phase HEAs has offered important insights, revealing how atomic interactions and charge redistribution help reduce lattice strain and improve phase stability-factors which play a key role in enhancing catalytic performance. Additionally, computational investigation approach indicates that charge transfer and local lattice distortions within multi-component alloys play critical roles in stabilizing single-phase structures and optimizing their electro-chemical properties. The fine-tuned balance of charge distribution across multiple elements significantly reduces atomic size mismatch, resulting in reduced structural defects and improved catalytic activities. In the present project report, we utilized DFT calculations to explore the formation energetics, stability, and electronic structure of novel high-entropy oxyhydroxides. Our primary goal is to understand how varying elemental compositions effect the structural stability and electronic properties essential for electrocatalytic performance. Therefore, we aim to support the rational design of high-efficient, entropy-stabilized catalytic materials.