Fig. 2: Stability of non-RE ATB4 phases (spin-polarized calculations).
From: Prediction of Van Hove singularity systems in ternary borides
The left panel shows the energy above the convex hull (Ed) for the α phase. The right panel shows the energy difference between β and α phases. The vertical axis labels indicate specific A–T element combinations. The dashed line indicates the 0.2 eV/atom threshold to identify the metastable phases.
