IrRh
IrRh is a thermodynamically stable, metallic binary alloy composed of iridium and rhodium used in catalytic research.
About IrRh
IrRh is a metallic platinum-group alloy that occupies a stable position on the thermodynamic convex hull. Its electronic structure is characterized by a lack of a band gap, typical of conductive metallic systems, which facilitates efficient electron transfer in catalytic processes. The material exhibits significant structural versatility, supported by numerous reported configurations across major materials databases. This structural richness makes it a subject of interest for researchers aiming to tune catalytic activity through atomic arrangement. By leveraging the synergistic properties of iridium and rhodium, this alloy serves as a robust candidate for demanding chemical environments where stability and conductivity are paramount.
Key Properties
Cross-validated computational properties for IrRh, 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 IrRh. 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 IrRh, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -0.037 | — |
| — | — | 0.00 | 0.0000 | -0.028 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -38.272 | 17.46 |
| — | — | 0.00 | 0.0085 | -0.019 | — |
| — | — | 0.00 | 0.0553 | 0.028 | — |
| — | — | 0.00 | 0.1388 | 0.111 | — |
| — | — | 0.00 | 0.4753 | 0.448 | — |
| — | — | 0.00 | 0.9596 | 0.932 | — |
| — | — | 0.00 | 1.1404 | 1.113 | — |
| Pm (No. 6) | monoclinic | — | — | — | 16.70 |
| Pnma (No. 62) | orthorhombic | — | — | — | 16.11 |
| P1 (No. 1) | triclinic | — | — | — | 20.58 |
Applications
Where IrRh is used.
Frequently Asked Questions
Common questions about IrRh, answered from cross-validated data.
What is IrRh?
IrRh is a thermodynamically stable, metallic binary alloy composed of iridium and rhodium used in catalytic research.
What is IrRh used for?
What is the band gap of IrRh?
Is IrRh a metal, semiconductor, or insulator?
Is IrRh thermodynamically stable?
What is the crystal structure of IrRh?
How many polymorphs of IrRh are known?
What elements does IrRh contain?
Where does the data for IrRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, IrRh distinguishes itself through its high thermodynamic stability compared to more complex or metastable counterparts like As2Ir or Ga2Ru. While many members of this class, such as IrSe2 or As2Pt, incorporate p-block elements to modify their electronic properties, IrRh remains a purely metallic binary alloy, providing a baseline for studying pure transition metal interactions in catalytic surface science.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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