Phase diagram of Nb3(FeB)2 with Orb v3 conservative inf MPA; e_above_hull: 0.150067 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
TCTP-TCSP p1/3 k4 abc1d5 scaffold — Nb6B4Fe4 converged boride variant - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -125.9058 eV; energy change = -0.0146 eV; symmetry: P2/m → P2/m