Phase diagram of Fe3Ni2BC with Orb v3 conservative inf MPA; e_above_hull: 0.246269 eV/atom; predicted_stable: False
Fe6B2C2Ni4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Ni) - prerelax - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -104.5570 eV; energy change = -0.0563 eV; symmetry: Pm → Pm
Created by route
Calculate energy above the convex hull