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Aug 24

GGen phase diagram for B-Co-Fe 2

Overview

Attribution

Interactive phase diagram built from every B-Co-Fe structure in the GGen database

GGen phase diagram for B-Co-Fe 2 · Files on Ouro

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Size: 4.78 MB
Type: .html file
Downloads: 0

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GGen exploration results for B-Co-Fe 2
GGen ran 1,000 trials across 100 B-Co-Fe stoichiometries in 22.9 min, keeping 914 relaxed structures. 31 of them landed within 150 meV/atom of the convex hull, 30 of which the database had not seen before. The leading generated candidate is B4Fe12 in Pnma (#62), which sits 10 meV/atom above the hull (known).