FeRh
Iron rhodium · FeRh
FeRh is a stable metallic alloy of iron and rhodium widely researched for its unique physical properties and potential catalytic applications.
About Iron rhodium
FeRh is a metallic alloy composed of iron and rhodium that exists as a thermodynamically stable phase on the convex hull. Its robust structural integrity and metallic nature make it a significant subject of research within the broader category of platinum-group alloys.
This material is frequently studied for its complex phase transitions and magnetic behavior, which are highly sensitive to external conditions. Its role as a catalyst component is supported by its well-documented structural diversity, having been characterized across numerous experimental and computational databases.
Key Properties
Cross-validated computational properties for Iron rhodium, aggregated across 5 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of FeRh. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for FeRh, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -7.961 | 9.84 |
| — | — | 0.00 | 0.0034 | -0.049 | — |
| — | — | 0.00 | 0.0046 | -0.047 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0173 | 0.015 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0173 | 0.015 | — |
| — | — | 0.00 | 0.0430 | -0.009 | — |
| — | — | 0.00 | 0.0705 | 0.019 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0749 | -7.886 | 9.78 |
| — | — | 0.00 | 0.0995 | 0.048 | — |
| — | — | 0.00 | 0.1183 | 0.066 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.1259 | 0.124 | — |
| — | — | 0.00 | 0.1397 | 0.088 | — |
Applications
Where Iron rhodium is used.
Frequently Asked Questions
Common questions about Iron rhodium, answered from cross-validated data.
What is FeRh?
FeRh is a stable metallic alloy of iron and rhodium widely researched for its unique physical properties and potential catalytic applications.
What is FeRh used for?
What is the band gap of FeRh?
Is FeRh a metal, semiconductor, or insulator?
Is FeRh thermodynamically stable?
What is the crystal structure of FeRh?
What is the density of FeRh?
How many polymorphs of FeRh are known?
What elements does FeRh contain?
Where does the data for FeRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, FeRh distinguishes itself through its exceptional structural stability compared to more complex intermetallics like As2Pt or Ga2Ru. While many members of this class are explored for specific catalytic surface activities, FeRh is particularly notable for the breadth of its structural data, which exceeds that of many other binary alloys in the group.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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