Fig. 6: The convex hull of the formation energy by the DFT calculations for pseudo-binary-oxide systems containing candidate CRCs. | npj Computational Materials

Fig. 6: The convex hull of the formation energy by the DFT calculations for pseudo-binary-oxide systems containing candidate CRCs.

From: Recommender system for discovery of inorganic compounds

Fig. 6

Closed circles (green) denote compounds on the convex hull. Closed triangles (blue) and squares (violet) denote CRCs registered in ICSD and ICDD-PDF + SpMat, respectively. Candidate compositions are given with recommendation scores in parentheses. Adopted from ref. 14 with modifications.

Back to article page