Al2FeRh
This compound is a ternary intermetallic material composed of aluminum, iron, and rhodium. It is primarily studied by researchers investigating the structural and magnetic properties of complex metallic alloys.
Overview
Key Properties
Cross-validated computational properties for Al2FeRh, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.04 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.011 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2FeRh, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0114 | -6.528 | 7.13 |
| Immm (No. 71) | orthorhombic | 0.04 | 2.9515 | -3.588 | 0.55 |
| Immm (No. 71) | orthorhombic | 0.02 | 2.9546 | -3.585 | 0.55 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.92 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.39 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.13 |
| — | — | — | — | — | 6.42 |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where Al2FeRh is used.
Materials science researchFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Al2FeRh, answered from cross-validated data.
What is Al2FeRh?
This compound is a ternary intermetallic material composed of aluminum, iron, and rhodium. It is primarily studied by researchers investigating the structural and magnetic properties of complex metallic alloys.
More questions
What is Al2FeRh used for?
Al2FeRh is used in materials science research and fundamental condensed matter physics studies.
What is the band gap of Al2FeRh?
Al2FeRh has a DFT-computed band gap of 0.04 eV across 8 reported structures.
Is Al2FeRh a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Al2FeRh thermodynamically stable?
Al2FeRh has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of Al2FeRh?
The lowest-energy reported polymorph of Al2FeRh is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Al2FeRh?
The computed density of the ground-state structure of Al2FeRh is 7.13 g/cm³.
How many polymorphs of Al2FeRh are known?
8 structures of Al2FeRh are reported across 4 databases, spanning 2 distinct space groups.
What elements does Al2FeRh contain?
Al2FeRh contains Al, Fe, and Rh (3 elements).
Where does the data for Al2FeRh come from?
Al2FeRh data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Explore
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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