Fine-tuned MACE potentials screen 1500 equiatomic multicomponent carbides, showing group number controls stability/hardness, short-range order effects are small, and a new family of stacking-ordered phases appears in group 4/5-6 mixtures.
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Synthesizability, hardness, and stacking order in multicomponent transition metal carbides from machine-learned potentials
Fine-tuned MACE potentials screen 1500 equiatomic multicomponent carbides, showing group number controls stability/hardness, short-range order effects are small, and a new family of stacking-ordered phases appears in group 4/5-6 mixtures.