Fig. 4
From: Construction of ground-state preserving sparse lattice models for predictive materials simulations
Comparison of the convex hulls based only on the reference input data (in-sample CE hull) and based on all ground-state configurations of the cluster expansion model (out-of-sample CE hull) for (a) Li x Fe(1−x)O and (b) Li x Ti(1−x)O. The Li x Ti(1−x)O out-of-sample hull is below the in-sample hull with a maximal distance of 6 meV. An arrow is added to emphasize the out of sample ground-state at x = 0.625 for Li x Fe(1−x)O
