Phase diagram of Mn2Fe3BC with Orb v3 conservative inf MPA; e_above_hull: 0.233624 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
Fe6B2C2Mn4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Mn) - prerelax - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -118.1448 eV; energy change = -0.1355 eV; symmetry: Pm → Pm