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Tin-based perovskites are interesting compounds for storage systems containing Li/Na ions. In addition, they have compact symmetries with high mechanical resistance. In this context, strontium stannate perovskite SrSnO 3 (SSO) is a potential candidate for these applications. In this work, Li/Na atoms were systematically substituted at Sr sites using DFT based on the local density approximation (LDA). This allows us to identify the substitution effects on the structural, mechanical, and electronic properties. Additionally, it us to describe which substitutions have the optimal properties for battery applications. In this context, the volumetric contractions were also studied for the different Li/Na configurations. Alternatively, Na configurations have less octahedral distortion on average. Young's modulus decreases in Li configurations, while in Na ones, it increases. Nevertheless, the Vickers hardness increases in all configurations (Li/Na). Cohesion energy analysis indicates that Li configurations are more stable than Na ones. Furthermore, the electronic band structure calculation shows that the Li/Na configurations with x = 0.50 have a conductive behavior, while with x = 0.25 they behave as semiconductors. In contrast to Na configurations, the energy diffusion barriers for Li configurations were lower. These results show that the Na configurations are more favorable for their possible ion-battery applications. • In this work, through the Density-Functional Theory (DFT) and Local Density Approximation (LDA), the substitution effects of Li/Na atoms at Sr sites on the structural, mechanical, electronic and electrochemical properties of SrSnO 3 perovskite (SSO) and Li x Sr 1- x SnO 3 (LSSO) and Na x Sr 1- x SnO 3 (NSSO) compounds. • The Pugh's criteria indicates that the compounds are ductile. Electronic bands' structure reveals that the Li/Na configurations with x = 0.50 exhibit conductive behavior, while those with x = 0.25 display semiconductor behavior. • The substitution effects of Li/Na atoms at Sr sites on the properties of LSSO and NSSO electrodes should be considered because its properties could be beneficial in the use of Li/Na ion batteries. • This work provides new knowledge in the scientific world in the experimental and theoretical fields for the characterization of new materials used for the design of electrochemical systems and their use in energy storage. [ABSTRACT FROM AUTHOR]