Alkaline-earth hydrides
Hydrides containing alkaline-earth metals are prototypes for hydrogen storage materials. For this purpose the heat of formation and the mechanical properties are of fundamental interest. First- principles electronic structure methods provide systematic values for these materials properties. The agreement with experimental data for the heat of formation is good. Presently, no experimental data for the elastic coefficients of these metal hydrides are available thus leaving the computed data as the sole source.
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