Fe2CoMnW SG #156

Supercell 3x3x3 of MnFe2CoW (Space group: P3m1, 162 symmetry operations)

Phase diagram of MnFe2CoW; eabovehull: 0.262422 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.16 THz

AI-discovered magnetic material: Fe2CoMnW (performance score: 0.810) | Space group: 156 (resolved from structure) | AI-generated from scratch using crystal structure prediction | Key properties: Tc: 555K, Ms: 0.11T, MAE: 5.50mJ/m^3, Cost: $21/kg, E_hull: 0.262eV/atom, Dynamically stable | Discovered in 3 AI iterations | This material demonstrates that high magnetic performance can be achieved with relatively low cost and a small unit cell size. The high Curie temperature and magnetic anisotropy energy suggest potential for magnetic applications requiring thermal stability and strong anisotropy. The dynamic stability is a positive sign for synthesis feasibility. However, the elevated energy above hull suggests that further optimization or doping might be needed to improve thermodynamic stability. This insight highlights a trade-off between achieving strong magnetic properties and maintaining low energy above hull in this chemical composition and structure.