Entropy-Based Topological Characterization of Magnesium Silicide

Abstract. Chemical graph theory focuses on the physical features of molecular structures using topological descriptors, where topological descriptors are mathematical formulas that represents a molecular structure and can be applied to any graph. Chemical graph theory depends extensively on topological descriptors, particularly in relation with chemical features of molecules. According to the structural characteristics of the graphs implemented in their computation, they can be categorised. This research paper focuses on several types of Zagreb descriptors for magnesium silicide’s molecular structure. The structure denoted by (Mg2Si), comprises of eight magnesium Mg and four silicon Si atoms. The structure and shape of the molecular graph are commonly described by the Zagreb indices. The significance of these indices in simulating the chemical characteristics of the magnesium silicide network is emphasised in the paper.