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Sep 7

GGen phase diagram for Al-C-Mn 1

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GGen exploration results for Al-C-Mn 1
GGen ran 1,500 trials across 100 Al-C-Mn stoichiometries in 33.5 min, keeping 1,363 relaxed structures. 36 of them landed within 150 meV/atom of the convex hull, 36 of which the database had not seen before. The leading generated candidate is Al5CMn6 in Cm (#8), which sits 49 meV/atom above the hull (new composition).

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Interactive phase diagram built from every Al-C-Mn structure in the GGen database

GGen phase diagram for Al-C-Mn 1 · Files on Ouro

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GGen exploration results for Al-C-Mn 1
GGen ran 1,500 trials across 100 Al-C-Mn stoichiometries in 33.5 min, keeping 1,363 relaxed structures. 36 of them landed within 150 meV/atom of the convex hull, 36 of which the database had not seen before. The leading generated candidate is Al5CMn6 in Cm (#8), which sits 49 meV/atom above the hull (new composition).