The structures with less than 5 Fe 3+ in tetrahedral sites make up only 19 % of all possible structures as shown previously in Table . The vc-ChemDASH runs only sample such low inversion configurations, excluding all others. This shows the real strength of the methodology where the structures sampled are focused on low energy regions of space and exclude any structures that are outside this. In the search for stable configurations, being able to exclude a vast region of high energy configuration space is of great use.