GaIr
GaIr is a thermodynamically stable intermetallic compound composed of gallium and iridium that functions as a metallic catalyst.
About GaIr
GaIr is a robust intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its metallic electronic nature, this material maintains thermodynamic stability, positioning it as a reliable candidate for catalytic research and advanced materials development. Its structural integrity is supported by a significant body of experimental and computational data, reflecting its prominence in the field of transition metal alloys. The compound serves as a critical subject for understanding the synergistic interactions between gallium and iridium in catalytic environments. Its stability on the convex hull makes it a noteworthy focus for researchers investigating durable, high-performance metallic catalysts for industrial chemical processes.
Key Properties
Cross-validated computational properties for GaIr, 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 GaIr. 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 GaIr, 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 | -32.357 | 15.66 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.352 | — |
| — | — | 0.00 | 0.0012 | -0.388 | — |
| — | — | 0.00 | 0.0025 | -0.387 | — |
| — | — | 0.00 | 0.0650 | -0.324 | — |
| — | — | 0.00 | 0.1275 | -0.262 | — |
| — | — | 0.00 | 0.5407 | 0.152 | — |
| — | — | 0.00 | 0.9263 | 0.537 | — |
| P-1 (No. 2) | triclinic | — | — | — | 13.16 |
| P1 (No. 1) | triclinic | — | — | — | 13.89 |
| P-1 (No. 2) | triclinic | — | — | — | 13.61 |
| P-1 (No. 2) | triclinic | — | — | — | 10.12 |
Applications
Where GaIr is used.
Frequently Asked Questions
Common questions about GaIr, answered from cross-validated data.
What is GaIr?
GaIr is a thermodynamically stable intermetallic compound composed of gallium and iridium that functions as a metallic catalyst.
What is GaIr used for?
What is the band gap of GaIr?
Is GaIr a metal, semiconductor, or insulator?
Is GaIr thermodynamically stable?
What is the crystal structure of GaIr?
What is the density of GaIr?
How many polymorphs of GaIr are known?
What elements does GaIr contain?
Where does the data for GaIr come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, GaIr distinguishes itself through its specific thermodynamic stability compared to more complex or less stable variants like As2Ir or Ga2Ru. While many members of this class are explored for their unique electronic configurations, GaIr remains a fundamental metallic reference point, offering a more straightforward structural profile than the multi-component or poly-arsenide systems found in its peer 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)
- 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.
Analyze GaIr in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →