fig14

Figure 14. (A) Schematic workflow for an accelerated first-principles calculation; (B) The crystal structures of L1₂-ordered alloys in the Co-Al-W-M-X, Co-V-Ti-M-X, and Co-V-Ta-M-X (M = Nb, Ti) systems, as well as in the Co-Al-V-M-X-based system; (C) Ranking of prediction accuracy for the occupancy trend of doping elements based on a K-means cluster model and the clustering results for the occupancy trend of doping elements on the training set; (D) Model fitting results for L1₂ mechanical properties^[89].