Our dataset provide thermodynamic and elastic properties of phase H at various temperatures and pressures, including equation of states (Fig2_EOS.xlsx), thermodynamic properties (Fig3_Thermodynamics.x
We compute the elastic stiffness tensor of fcc argon at 60 K and 1 bar using molecular simulation tools. Three different methods are investigated: explicit deformations of the simulation box, strain f
The elastic constant tensor of an inorganic compound provides a complete description of the response of the material to external stresses in the elastic limit. It thus provides fundamental insight i