Vibrational, mechanical, electronic and thermodynamic properties of rhenium-based perovskites XReO3(X = Li, Be) by an ab-initio computation

•The structural, elastic, electronic and thermodynamic properties of XReO3(X = Li and Be) compounds have been determined using the projected augmented wave (PAW) method.•The electronic structure confirms the metallic nature of compounds.•Elastic characteristics were investigated the Poisson's ratio (v), Young's modulus (Y), isotropic shear modulus (G), and anisotropy factor (A).•The thermodynamic properties like the Helmholtz free energy (F), the entropy (S), and the heat capacity (CV) were computed and analysed for temperatures ranging from 0 to 1000 K.