AlAu
AlAu is a stable metallic intermetallic compound formed from aluminum and gold.
About AlAu
AlAu is a metallic intermetallic compound composed of aluminum and gold. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these two elements that remains a subject of significant interest in structural chemistry.
With numerous reported structures across multiple databases, this compound serves as a key reference point for understanding the bonding and phase behavior of aluminide-gold systems. Its metallic nature and stability make it a valuable candidate for studying alloy formation and fundamental solid-state interactions.
Key Properties
Cross-validated computational properties for AlAu, 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 AlAu. 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 AlAu, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.00 | 0.0000 | -29.082 | 10.81 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.452 | — |
| — | — | 0.00 | 0.0000 | -0.396 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.452 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0117 | -0.440 | — |
| — | — | 0.00 | 0.1089 | -0.287 | — |
| — | — | 0.00 | 0.1308 | -0.265 | — |
| — | — | 0.00 | 0.1433 | -0.252 | — |
| — | — | 0.00 | 0.1494 | -0.246 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1522 | -28.929 | 11.10 |
| — | — | 0.00 | 0.1582 | -0.237 | — |
| — | — | 0.00 | 0.1689 | -0.227 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting AlAu.
Applications
Where AlAu is used.
Frequently Asked Questions
Common questions about AlAu, answered from cross-validated data.
What is AlAu?
AlAu is a stable metallic intermetallic compound formed from aluminum and gold.
What is AlAu used for?
What is the band gap of AlAu?
Is AlAu a metal, semiconductor, or insulator?
Is AlAu thermodynamically stable?
What is the crystal structure of AlAu?
What is the density of AlAu?
How many polymorphs of AlAu are known?
How is AlAu synthesized?
What elements does AlAu contain?
Where does the data for AlAu come from?
How It Compares
As a thermodynamically stable intermetallic, AlAu represents a fundamental building block in the study of aluminum-gold binary systems, serving as a primary reference for phase stability in this metallic class.
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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