Fig. 6: Applying predicted decomposition energies to stability predictions in a sparse chemical space.
From: A critical examination of compound stability predictions from machine-learned formation energies
Re-training each model directly on ΔHd on all of MP minus 267 quaternary compounds in the Li–Mn–TM–O chemical space (TM ∈ {Ti, V, Cr, Fe, Co, Ni, Cu}). Stability is determined by these direct predictions of ΔHd,pred and compared with stabilities available in MP, ΔHd,MP. FP = false positive, TP = true positive, TN = true negative, FN = false negative.
