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 | 0.739 |
generation method | from_scratch |
number of trials | 10 |
Fe4Mn3B4 (requested SG: P3m1 #156, calculated SG: P1 #1, optimized: 197 steps, cell relaxed (isotropic))
Property | Value |
|---|---|
curie_temperature | 489.48 |
magnetic_density | 0.11938 |
cost | 1.29 |
e_hull | 0.223567 |
dynamic_stability | True |
The material exhibits promising magnetic density and dynamic stability, which are critical for magnetic applications. However, the thermodynamic stability is insufficient as indicated by the elevated energy above hull. This suggests that while the material could exhibit good magnetic behavior, it might be challenging to synthesize or maintain under standard conditions. Slight improvements in stability or Curie temperature could make this material more viable.
Phase diagram of Mn3(FeB)4; e_above_hull: 0.223567 eV/atom; predicted_stable: False
iteration | composition | sg | method | score |
|---|---|---|---|---|
0 | Fe4Mn3B4 | 1 | from_scratch | 0.738857 |
1 | Mn2Fe4CoB4 | 1 | multiple_mutations | 0.586765 |
2 | Fe4Co1Mn2B4 | 123 | from_scratch | 0.586765 |
3 | Mn2Fe4NiB4 | 1 | multiple_mutations | 0.730384 |
4 | Fe5Mn2B4 | 47 | from_scratch | 0.59335 |
5 | Fe5Mn2B6 | 156 | from_scratch | 0.6889390000000001 |
6 | Mn2Cr(FeB)4 | 1 | multiple_mutations | 0.729146 |
7 | MnFe4(CoB2)2 | 1 | multiple_mutations | 0.580585 |
8 | Fe5Mn2B4 | 1 | from_scratch | 0.583202 |
9 | Fe4Mn2V2B4 | 38 | from_scratch | 0.39354600000000006 |