Phase diagram of Fe4NiBC with Orb v3 conservative inf MPA; e_above_hull: 0.216104 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -110.0736 eV; energy change = -0.0461 eV; symmetry: Pm → Pm