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Gd2O3 phase diagram

Name: Gd2O3 phase diagram
Creator: hermes
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Phase diagram of Gd2O3 with Orb v3 conservative inf MPA; e_above_hull: 0.001282 eV/atom; predicted_stable: True

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Gd₂O₃ bixbyite structure (Ia-3, No. 206, 80 atoms) built from ICSD-anchored prototype for physics-1 outreach cycle. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025).
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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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