IrPt
IrPt is a metallic alloy of iridium and platinum used primarily in research for its potential as a robust and active catalyst.
About IrPt
IrPt is a metallic alloy composed of iridium and platinum, two of the most noble and chemically resilient elements in the periodic table. As a member of the platinum-group alloy class, it exhibits the characteristic high conductivity and structural versatility associated with these precious metal systems.
While classified as a metastable phase, this compound is of significant interest in materials science due to its complex structural landscape. Its metallic nature and the synergistic interaction between iridium and platinum make it a compelling candidate for specialized catalytic processes where durability and surface reactivity are paramount.
Key Properties
Cross-validated computational properties for IrPt, 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 IrPt. 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 IrPt, 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 | 0.0814 | -51.842 | 21.28 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0821 | 0.082 | — |
| — | — | 0.00 | 0.0876 | 0.088 | — |
| — | — | 0.00 | 0.1721 | 0.172 | — |
| — | — | 0.00 | 0.2837 | 0.284 | — |
| — | — | 0.00 | 0.3923 | 0.392 | — |
| — | — | 0.00 | 0.8220 | 0.822 | — |
| — | — | 0.00 | 1.1971 | 1.197 | — |
| P-1 (No. 2) | triclinic | — | — | — | 19.25 |
| P-1 (No. 2) | triclinic | — | — | — | 20.58 |
| P-1 (No. 2) | triclinic | — | — | — | 20.65 |
| P-1 (No. 2) | triclinic | — | — | — | 17.65 |
Applications
Where IrPt is used.
Frequently Asked Questions
Common questions about IrPt, answered from cross-validated data.
What is IrPt?
IrPt is a metallic alloy of iridium and platinum used primarily in research for its potential as a robust and active catalyst.
What is IrPt used for?
What is the band gap of IrPt?
Is IrPt a metal, semiconductor, or insulator?
Is IrPt thermodynamically stable?
What is the crystal structure of IrPt?
What is the density of IrPt?
How many polymorphs of IrPt are known?
What elements does IrPt contain?
Where does the data for IrPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, which includes compounds like As2Pt and Ga2Ru, IrPt stands out as a binary metallic system that balances the unique electronic properties of its constituent heavy metals. Unlike the more complex pnictide or chalcogenide-based siblings such as As2Ir or IrSe2, IrPt maintains a simpler metallic framework that allows for distinct surface-active behavior in catalytic environments.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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