A ternary Fe-Mn-B alloy with a body-centered tetragonal or orthorhombic crystal structure, where boron occupies interstitial sites, will exhibit high Curie temperature (>500 K), magnetic density >0.1 (μB/atom), moderate complexity (≤20 atoms/unit cell), and low formation energy (e_hull ≤ 0.15 eV/atom), while achieving enhanced magnetic anisotropy energy sufficient for permanent magnet applications.
Property | Value |
|---|---|
composition | Fe4Mn3B4 |
space group | 1 |
score | 0.743 |
generation method | from_scratch |
number of trials | 5 |
Fe4Mn3B4 (requested SG: P1 #1, calculated SG: Cm #8, optimized: 158 steps, cell relaxed (isotropic))
Property | Value |
|---|---|
curie_temperature | 508.75 |
magnetic_density | 0.113714 |
cost | 1.29 |
e_hull | 0.197036 |
dynamic_stability | True |
- Fe4Mn3B4 is a promising magnetic material with a Curie temperature slightly above 500 K and magnetic density above 0.1. - The low cost and dynamic stability enhance its practical appeal. - The primary limitation is its energy above hull, indicating potential challenges in synthesis or long-term stability. - The material's composition and structure yield a balance of magnetic performance and cost-effectiveness.
Phase diagram of Mn3(FeB)4; e_above_hull: 0.197036 eV/atom; predicted_stable: False
iteration | composition | sg | method | score |
|---|---|---|---|---|
0 | Fe4Mn3B4 | 1 | from_scratch | 0.743065 |
1 | MnFe4(CoB2)2 | 1 | multiple_mutations | 0.730585 |
2 | Fe4Mn3B4 | 1 | from_scratch | 0.549539 |
3 | MnFe4(NiB2)2 | 1 | multiple_mutations | 0.7193170000000001 |
4 | Fe4Co2B4 | 1 | from_scratch | 0.73392 |