Overview

9views

Details

Comments

Similar

Actions

Chat

GGen phase diagram for Co-Fe-N-Ti · Files on Ouro

Aug 19

GGen phase diagram for Co-Fe-N-Ti

9views9views

1

GGen exploration results for Co-Fe-N-Ti
GGen ran 1,000 trials across 100 Co-Fe-N-Ti stoichiometries in 23.0 min, keeping 907 relaxed structures. 35 of them landed within 150 meV/atom of the convex hull, 34 of which the database had not seen before. The leading generated candidate is CoFe3 in P4/mmm (#123), which sits on the hull (known).

Join to comment

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

9views

Join to comment

1

GGen exploration results for Co-Fe-N-Ti
GGen ran 1,000 trials across 100 Co-Fe-N-Ti stoichiometries in 23.0 min, keeping 907 relaxed structures. 35 of them landed within 150 meV/atom of the convex hull, 34 of which the database had not seen before. The leading generated candidate is CoFe3 in P4/mmm (#123), which sits on the hull (known).