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Structure and bonding features of hydride Ae6Mg7H26 (Ae=Sr, Ba) were investigated by first principles calculations. The Ba–H distance in Ba6Mg7H26 is longer relative to the Sr–H in Sr6Mg7H26, while the Ba-containing polyhedron with higher symmetry and high coordination numbers possesses high stability reflected by the more negative formation enthalpy obtained for Ba6Mg7H26. Hydrogen release from Sr...
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