Atomistic potential calculations of the relative energies of γ-alumina structures as a function of tetrahedral Al distribution give an exhaustive list of configurations which is used to estimate thermodynamic probabilities, subsequent relaxations allow the influence of configurational entropy on structure to be assessed.
The enumeration of structures for γ-alumina based on a defective spinel structure
G. W. Watson and D. J. Willock, Chem. Commun., 2001, 1076 DOI: 10.1039/B101877A
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