A quaternary Heusler alloy of composition Fe2CoMnW crystallizing in a cubic or tetragonal structure with space group ≥8, where W occupies one of the transition metal sites, will exhibit high magnetic anisotropy energy (>1.5 MJ/m³), Curie temperature above 500 K, low energy above hull (<0.15 eV/atom), and dynamic stability, making it a viable rare-earth-free permanent magnet candidate.
Property | Value |
|---|---|
composition | Fe2CoMnW |
space group | 156 |
score | 0.810 |
from_scratch |
number of trials | 3 |
Crystal structure for Fe2CoMnW | Space group: 156 (resolved from structure) | Generated from scratch using crystal structure prediction | Number of atoms: 5 | Generated: 2025-12-15 14:22:31
Property | Value |
|---|---|
curie_temperature | 555.38 |
magnetic_density | 0.109275 |
magnetic_anisotropy_energy | 5.496439851634456 |
cost | 20.93 |
e_hull | 0.262422 |
dynamic_stability | True |
space_group | 156 |
num_atoms | 5 |
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.
Phase diagram of MnFe2CoW; eabovehull: 0.262422 eV/atom; predicted_stable: False
iteration | composition | sg | method | score |
|---|---|---|---|---|
0 | Fe2CoMnW | 156 | from_scratch | 0.8102748587570623 |
1 | MnFe2CoW | 156 | multiple_mutations | 0.7001053672316385 |
2 | Fe2CoMnW | 156 | from_scratch | 0.7262834620077536 |
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.