Abstract
A new metastable ultralight crystalline form of aluminum has been computationally designed using density functional calculations with imposing periodic boundary conditions. The geometric and electronic structures of the predicted new allotrope were calculated on the basis of a diamond lattice in which all carbon atoms are replaced by aluminum Al4 tetrahedra. The new form of crystalline aluminum has an extremely low density of 0.61 g/cm3 and would float in water. The new aluminum form is a semimetal and shows high plasticity.
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