In this work, ab initio calculation has been performed to investigate the structural, elastic and mechanical properties of Mn₃Sb intermetallic compound, based on density functional theory plane-wave pseudo potential method within local density approximation and generalized gradient approximation. The calculated structural parameter in both approximations of Mn₃Sb compound is consistent with the experimental data. The elastic constants were determined from a linear fit of the calculated stress-strain function according to the Hooke law. From the elastic constants, the bulk modulus B, shear modulus G, the Young modulus E, the Poisson ratio σ , anisotropy factor A and the ratio B/G for Mn₃Sb compound are obtained. This is the first quantitative theoretical prediction of these properties.
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