Ag3Au
Silver-gold alloy
This intermetallic compound consists of silver and gold arranged in a specific crystalline structure. It is primarily studied for its unique physical properties and behavior in metallurgical research.
AgAu
Overview
Key Properties
Cross-validated computational properties for Ag3Au, 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.
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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
19
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag3Au, 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 | -28.725 | 12.44 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0004 | -28.724 | 12.43 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0116 | -28.713 | 12.40 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 12.73 |
| — | — | — | — | — | 12.06 |
| Pm-3m (No. 221) | Cubic | — | — | — | 11.99 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 11.98 |
| — | — | — | — | — | 12.06 |
Uses
Applications
Where Ag3Au is used.
Materials science researchFundamental studies of metallic bondingAlloy development
Reference
Frequently Asked Questions
Common questions about Ag3Au, answered from cross-validated data.
What is Ag3Au?
This intermetallic compound consists of silver and gold arranged in a specific crystalline structure. It is primarily studied for its unique physical properties and behavior in metallurgical research.
More questions
What is Ag3Au used for?
Ag3Au is used in materials science research, fundamental studies of metallic bonding, and alloy development.
What is the band gap of Ag3Au?
Ag3Au is computed to be metallic (no band gap) in the reported DFT structures.
Is Ag3Au a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ag3Au thermodynamically stable?
Yes — Ag3Au sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag3Au?
The lowest-energy reported polymorph of Ag3Au is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Ag3Au?
The computed density of the ground-state structure of Ag3Au is 12.44 g/cm³.
How many polymorphs of Ag3Au are known?
19 structures of Ag3Au are reported across 5 databases, spanning 3 distinct space groups.
What elements does Ag3Au contain?
Ag3Au contains Ag and Au (2 elements).
Where does the data for Ag3Au come from?
Ag3Au data is cross-referenced from materials_project, nomad, jarvis, mpaloe, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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