Phase diagram of NbAl(Fe2B)2; e_above_hull: 0.488227 eV/atom; predicted_stable: False
NbAl(Fe2B)2 (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.3214 eV; energy change = -0.0441 eV; symmetry: P4/mmm → P4/mmm
Created by route
Calculate energy above the convex hull