Phase diagram of Fe5BC with Orb v3 conservative inf MPA; e_above_hull: 0.173236 eV/atom; predicted_stable: False
Fe10B2C2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -115.6669 eV; energy change = -0.1092 eV; symmetry: Pm → Pm
Created by route
Calculate energy above the convex hull