ABSTRACT
In this study, we conduct a comprehensive physical analysis of topological indices for the Iron Disulfide (FeS 2 ) network using a curve-fitting model. Iron Disulfide is a cubic compound. In metamorphic rock, sedimentary rock, and quartz veins, it is typically found in combination with other sulfides or oxides. The numerical properties of molecular structures are referred to as topological indices. There are several different kinds of topological indices, including those that are based on distance, degree, or counting, among other factors. The real process of creating a topological index involves turning a chemical structure into a numerical value. In this paper, we calculate the iron disulfide network topological indices using the degrees of vertices in a chemical network of Iron Disulfide (FeS 2 ). Thereafter, we discovered the physical parameters of FeS 2 production, such as heat of formation. We then fitted curves between the thermodynamic properties and several indices. Several techniques based on rationality, linearity, and nonlinearity were used to fit curves in MATLAB. These quantitative results imply that a variety of thermodynamic characteristics of semiconducting materials may be accurately predicted by topological indices. These findings have significant ramifications as they provide the groundwork for the application of topological indices in semiconducting network design and optimization, which might result in more effective and economical material creation.