Phase diagram of TmInNi4 with Orb v3 conservative inf MPA; e_above_hull: 0.001578 eV/atom; predicted_stable: True
TmNi₄In MgCu₄Sn-type (F-43m)
TmNi₄In (InNi₄Tm) MgCu₄Sn-type structure (F-43m, No. 216, 24 atoms) built from MgCu₄Sn prototype. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025).
When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3
Testing five topological misclassified compounds from Nop et al. (npj Computational Materials 2025) through Orb v3 relaxation and MP convex hull. 3/5 collapsed or degraded, revealing overlap between topology misclassification and structural failure.
Created by route
Calculate energy above the convex hull