IrRu
IrRu is a metallic alloy of iridium and ruthenium that is considered a promising candidate for experimental synthesis in catalytic applications.
About IrRu
IrRu is a metallic binary alloy composed of iridium and ruthenium. As a member of the platinum-group alloy family, it exhibits characteristic metallic electronic properties, lacking a band gap and facilitating efficient electron transport. Its status as a near-hull stable phase suggests that it is a viable candidate for synthesis and experimental investigation in high-performance material applications. The compound is supported by a significant body of structural data, reflecting its prominence in computational materials science databases. It serves as a critical building block for researchers exploring the synergistic effects of combining heavy transition metals to tune catalytic activity. Its potential utility lies in its ability to withstand demanding environments, making it a focus for studies involving surface reactivity and electrochemical processes.
Key Properties
Cross-validated computational properties for IrRu, 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 IrRu. 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 IrRu, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0055 | -0.031 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0077 | -0.044 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0174 | -38.929 | 17.49 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0214 | -0.030 | — |
| — | — | 0.00 | 0.0315 | -0.005 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0361 | -38.910 | 17.48 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0421 | -0.009 | — |
| — | — | 0.00 | 0.0953 | 0.058 | — |
| — | — | 0.00 | 0.6294 | 0.593 | — |
| — | — | 0.00 | 1.0239 | 0.987 | — |
| — | — | 0.00 | 1.0963 | 1.059 | — |
| P1 (No. 1) | triclinic | — | — | — | 18.99 |
Applications
Where IrRu is used.
Frequently Asked Questions
Common questions about IrRu, answered from cross-validated data.
What is IrRu?
IrRu is a metallic alloy of iridium and ruthenium that is considered a promising candidate for experimental synthesis in catalytic applications.
What is IrRu used for?
What is the band gap of IrRu?
Is IrRu a metal, semiconductor, or insulator?
Is IrRu thermodynamically stable?
How many polymorphs of IrRu are known?
What elements does IrRu contain?
Where does the data for IrRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, IrRu occupies a distinct position alongside compounds like GeRu and As2Ir. While many members of this group exhibit complex stoichiometry or non-metallic behavior, IrRu maintains a simple metallic character that distinguishes it from more insulating or structurally intricate siblings like IrSe2, providing a baseline for understanding binary transition metal interactions.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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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