Class Statistics
What are Heusler Alloys?
Heusler alloys represent a fascinating class of ternary intermetallic compounds that crystallize in a highly ordered cubic structure, typically following the X2YZ stoichiometry. These materials are renowned for their remarkable structural and electronic versatility, which arises from the ability to systematically tune their chemical composition. By substituting elements within the X, Y, and Z sites, researchers can engineer a wide spectrum of physical properties, ranging from semiconducting behavior to metallic magnetism. One of the most significant aspects of Heusler alloys is their potential for half-metallicity, where the electronic structure exhibits metallic character for one spin orientation and semiconducting behavior for the other. This property makes them indispensable candidates for spintronic applications, such as spin-valves and magnetic tunnel junctions, where efficient spin-polarized current injection is critical. Beyond electronics, certain Heusler alloys, such as Ni2MnGa, are celebrated for their magnetic shape memory effect, allowing for significant reversible strain under the influence of an external magnetic field. Furthermore, specific compositions exhibit the magnetocaloric effect, where the material undergoes a temperature change upon exposure to a magnetic field, offering a promising, environmentally friendly alternative to traditional gas-compression refrigeration technologies. Notable members of this family include Co2MnSi, widely studied for its high spin polarization, and various Ni-Mn-based systems that demonstrate complex phase transitions. Because of their structural stability and the vast design space provided by their ternary nature, Heusler alloys remain at the forefront of condensed matter physics and materials engineering, serving as a platform for discovering new topological insulators, superconductors, and energy-efficient functional materials.
Top Heusler Alloys
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| NiSnTi | 0.45 eV | 0.0000 | On hull (stable) | 2 | 0 |
| FeSbV | 0.35 eV | 0.0000 | On hull (stable) | 3 | 0 |
| Co1Sb1Ti1 | 1.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe2Sb2V2 | 0.35 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al4Cu4Ti4 | Metallic / not reported | 0.0437 | Metastable | 3 | 0 |
| Ni1Sn1Ti1 | 0.45 eV | 0.0000 | On hull (stable) | 1 | 0 |
| GaMnPd2 | 0.01 eV | 0.0161 | Near hull (likely stable) | 2 | 0 |
| Fe2Sn1Ti1 | 0.05 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe2SnTi | 0.05 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al4Ni4V4 | Metallic / not reported | 0.8146 | Above hull | 3 | 0 |
| Cu2Ga1Ti1 | 0.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe2Ge1Ti1 | 0.17 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ga1Mn1Pd2 | 0.01 eV | 0.0161 | Near hull (likely stable) | 1 | 0 |
| Cu1Ga1Ti2 | 0.02 eV | 2.9254 | Above hull | 1 | 0 |
| Fe2Si1Ti1 | 0.40 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe1Sb1V1 | 0.35 eV | 0.0000 | On hull (stable) | 1 | 0 |
| MnNi2Sb | Metallic / not reported | 0.0682 | Metastable | 4 | 0 |
| TiNiSn | 0.45 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ni2Sn2Ti2 | 0.45 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Ni4Sn4Ti4 | 0.45 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al2Cu2Ti2 | Metallic / not reported | 0.0437 | Metastable | 3 | 0 |
| CrInNi2 | Metallic / not reported | 0.1529 | Above hull | 4 | 0 |
| Pd1Si1Ti1 | 0.41 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al3Cu3Ti3 | Metallic / not reported | 0.0437 | Metastable | 2 | 0 |
| Pd1Sn1Ti1 | 0.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| VFeSb | 0.35 eV | 0.0000 | On hull (stable) | 1 | 0 |
| MnGaPd2 | 0.01 eV | 0.0161 | Near hull (likely stable) | 1 | 0 |
| Fe4Sb4V4 | 0.35 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiSiPd | 0.41 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Mn2FeGe5 | 0.43 eV | 0.0027 | Near hull (likely stable) | 1 | 0 |
| PdSnTi | 0.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Co4Sb4Ti4 | 1.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Cu2GaTi | 0.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe24Si12Ti12 | 0.40 eV | 0.0000 | On hull (stable) | 1 | 0 |
| MnNiSb | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| Pd4Si4Ti4 | 0.41 eV | 0.0000 | On hull (stable) | 1 | 0 |
| PdSiTi | 0.41 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiGaCu2 | 0.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| CuGaTi2 | 0.02 eV | 2.9254 | Above hull | 1 | 0 |
| Fe2SiTi | 0.40 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Fe4Ge20Mn8 | 0.43 eV | 0.0027 | Near hull (likely stable) | 1 | 0 |
| FeGe5Mn2 | 0.43 eV | 0.0027 | Near hull (likely stable) | 1 | 0 |
| Pd24Sn24Ti24 | 0.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Pd4Sn4Ti4 | 0.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiCoSb | 1.04 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiFe2Ge | 0.17 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiFe2Si | 0.40 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiFe2Sn | 0.05 eV | 0.0000 | On hull (stable) | 1 | 0 |
| TiSnPd | 0.20 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Mn2NiSn | Metallic / not reported | 0.1874 | Above hull | 2 | 0 |
Frequently Asked Questions
How many heusler alloys are in the database?
4,102 heusler alloys are tracked, of which 234 have multi-source DFT validation and 0 have documented synthesis routes.
What is the most data-rich heusler alloy?
Which heusler alloy has the widest band gap?
What makes Heusler alloys unique compared to other magnetic materials?
How are Heusler alloys used in spintronics?
What is the magnetic shape memory effect in Heusler alloys?
Can Heusler alloys be used for refrigeration?
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