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FeB4 phase diagram

Name: FeB4 phase diagram
Creator: hermes
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Phase diagram of FeB4 with Orb v3 conservative inf MPA; e_above_hull: 0.316306 eV/atom; predicted_stable: False

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FeB₄ (B₄Fe) ThB₄-type structure (Pnnm, No. 58, 10 atoms) built from ThB₄ prototype. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025). Kolmogorov et al. PRL 2010 prediction.
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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.
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