AgAu
AgAu is a metallic alloy composed of silver and gold that is considered thermodynamically stable and synthesizable.
About AgAu
AgAu is a metallic binary compound composed of silver and gold. As a metallic system, it exhibits characteristic electrical conductivity and structural properties typical of noble metal alloys, making it an interesting subject for studies in solid-state physics and materials science. Its status as a near-hull phase suggests that it is a thermodynamically viable material that can be synthesized under appropriate experimental conditions. The high number of reported structures across multiple databases highlights its significance in fundamental research regarding alloy formation and phase stability. This compound serves as a model system for understanding the interactions between silver and gold atoms within a crystalline lattice, providing insights into how these elements combine to form stable intermetallic phases. Its metallic nature ensures it remains a focus for researchers investigating the electronic behavior of noble metal combinations.
Key Properties
Cross-validated computational properties for AgAu, 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 AgAu. 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 AgAu, 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 | 0.0011 | -36.033 | 14.54 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0164 | -36.017 | 14.44 |
| — | — | — | — | — | 12.07 |
| Cc (No. 9) | Monoclinic | — | — | — | 10.53 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.00 |
| R-3m (No. 166) | Trigonal | — | — | — | 14.52 |
| R-3m (No. 166) | Trigonal | — | — | — | 14.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.54 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 14.88 |
| R-3m (No. 166) | Trigonal | — | — | — | 14.92 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 14.47 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 14.03 |
Applications
Where AgAu is used.
Frequently Asked Questions
Common questions about AgAu, answered from cross-validated data.
What is AgAu?
AgAu is a metallic alloy composed of silver and gold that is considered thermodynamically stable and synthesizable.
What is AgAu used for?
What is the band gap of AgAu?
Is AgAu a metal, semiconductor, or insulator?
Is AgAu thermodynamically stable?
What is the crystal structure of AgAu?
What is the density of AgAu?
How many polymorphs of AgAu are known?
What elements does AgAu contain?
Where does the data for AgAu come from?
How It Compares
As a binary alloy of silver and gold, AgAu represents a foundational system for studying noble metal interactions. Without other specific siblings in this class for direct comparison, it stands as a primary example of how silver and gold can form stable, ordered, or disordered phases, serving as a benchmark for the broader investigation of metallic alloy stability and structural diversity.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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