AlIr
Iridium aluminide
AlIr is an intermetallic compound composed of aluminum and iridium. It is primarily studied for its structural properties and potential use in high-temperature environments where chemical stability is required.
Overview
Key Properties
Cross-validated computational properties for AlIr, aggregated across 4 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
156
4 databases, 25 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlIr, 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 | -30.616 | 13.55 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.02 |
| P-1 (No. 2) | Triclinic | — | — | — | 14.66 |
| Imma (No. 74) | Orthorhombic | — | — | — | 11.14 |
| Pm (No. 6) | Monoclinic | — | — | — | 10.21 |
| Pm (No. 6) | Monoclinic | — | — | — | 15.80 |
| Pm (No. 6) | Monoclinic | — | — | — | 12.40 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.08 |
| Imma (No. 74) | Orthorhombic | — | — | — | 14.73 |
| Imma (No. 74) | Orthorhombic | — | — | — | 12.79 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 11.33 |
Uses
Applications
Where AlIr is used.
High-temperature structural materialsCatalysis researchCoatings for aerospace components
Reference
Frequently Asked Questions
Common questions about AlIr, answered from cross-validated data.
What is AlIr?
AlIr is an intermetallic compound composed of aluminum and iridium. It is primarily studied for its structural properties and potential use in high-temperature environments where chemical stability is required.
More questions
What is AlIr used for?
AlIr is used in high-temperature structural materials, catalysis research, and coatings for aerospace components.
What is the band gap of AlIr?
AlIr is computed to be metallic (no band gap) in the reported DFT structures.
Is AlIr a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AlIr thermodynamically stable?
Yes — AlIr sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlIr?
The lowest-energy reported polymorph of AlIr is cubic symmetry, space group Pm-3m (No. 221).
What is the density of AlIr?
The computed density of the ground-state structure of AlIr is 13.55 g/cm³.
How many polymorphs of AlIr are known?
156 structures of AlIr are reported across 4 databases, spanning 25 distinct space groups.
What elements does AlIr contain?
AlIr contains Al and Ir (2 elements).
Where does the data for AlIr come from?
AlIr data is cross-referenced from materials_project, mpaloe, omat24.
Explore
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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