Al1Ga1Ir2
Al1Ga1Ir2 is a semimetallic platinum-group alloy catalyst composed of aluminum, gallium, and iridium that is considered a promising candidate for synthesis.
About Al1Ga1Ir2
Al1Ga1Ir2 is a specialized intermetallic compound within the platinum-group alloy catalyst class. Characterized by its near-zero-gap electronic structure, it functions as a semimetallic material with unique charge carrier properties that are highly sought after for surface-mediated chemical reactions. Its position near the thermodynamic hull suggests it is a viable candidate for experimental synthesis and structural characterization. The material is significant for researchers investigating how the hybridization of aluminum and gallium with iridium influences the electronic density of states at the Fermi level, which is a critical factor in determining catalytic activity. It represents a sophisticated intersection of light main-group elements and dense precious metals, offering a platform for tuning performance in industrial chemical processing.
Key Properties
Cross-validated computational properties for Al1Ga1Ir2, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for Al1Ga1Ir2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0126 | -31.474 | 14.64 |
| Immm (No. 71) | orthorhombic | 0.02 | 3.0308 | -28.456 | 1.12 |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Al1Ga1Ir2 is used.
Frequently Asked Questions
Common questions about Al1Ga1Ir2, answered from cross-validated data.
What is Al1Ga1Ir2?
Al1Ga1Ir2 is a semimetallic platinum-group alloy catalyst composed of aluminum, gallium, and iridium that is considered a promising candidate for synthesis.
What is Al1Ga1Ir2 used for?
What is the band gap of Al1Ga1Ir2?
Is Al1Ga1Ir2 a metal, semiconductor, or insulator?
Is Al1Ga1Ir2 thermodynamically stable?
What is the crystal structure of Al1Ga1Ir2?
What is the density of Al1Ga1Ir2?
How many polymorphs of Al1Ga1Ir2 are known?
What elements does Al1Ga1Ir2 contain?
Where does the data for Al1Ga1Ir2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Al1Ga1Ir2 occupies a distinct niche compared to siblings like As2Ir or Ga2Ru. While many members of this class exhibit varying degrees of metallic character, the semimetallic nature of this compound provides a specific electronic environment that differs from the more traditional metallic behavior seen in compounds like LaRh, making it a compelling subject for studies focused on electronic-structure-driven catalysis.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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