AgAuO2
AgAuO2 is a thermodynamically stable semiconducting ternary oxide containing silver and gold.
About AgAuO2
AgAuO2 is a distinct ternary oxide composed of silver, gold, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that has drawn significant interest in structural materials science, with numerous experimental and computational configurations documented in databases. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic applications where noble metal oxides are required. The material is primarily utilized in fundamental research aimed at understanding the interplay between precious metal cations and oxygen coordination environments. By providing a stable platform for studying complex metal-oxide interactions, AgAuO2 serves as a valuable reference point for exploring the electronic properties of mixed-metal systems.
Key Properties
Cross-validated computational properties for AgAuO2, aggregated across 3 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 AgAuO2. 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 AgAuO2, 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/c (No. 14) | monoclinic | 0.72 | 0.0000 | -0.243 | — |
| P21/c (No. 14) | monoclinic | 0.62 | 0.0000 | -4.473 | 9.67 |
| Pmna (No. 53) | orthorhombic | 0.10 | 0.0122 | -0.231 | — |
| Pmna (No. 53) | orthorhombic | 0.00 | 0.0135 | -4.459 | 9.49 |
| I4122 (No. 98) | tetragonal | 0.00 | 0.0342 | -4.438 | 8.95 |
| I4122 (No. 98) | tetragonal | 0.00 | 0.0423 | -0.201 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 9.92 |
| P21/c (No. 14) | monoclinic | — | — | — | 9.12 |
| I4122 (No. 98) | tetragonal | — | — | — | 9.37 |
| P21/c (No. 14) | monoclinic | — | — | — | 9.53 |
| Pmna (No. 53) | orthorhombic | — | — | — | 8.97 |
| Pmna (No. 53) | orthorhombic | — | — | — | 9.76 |
Applications
Where AgAuO2 is used.
Frequently Asked Questions
Common questions about AgAuO2, answered from cross-validated data.
What is AgAuO2?
AgAuO2 is a thermodynamically stable semiconducting ternary oxide containing silver and gold.
What is AgAuO2 used for?
What is the band gap of AgAuO2?
Is AgAuO2 a metal, semiconductor, or insulator?
Is AgAuO2 thermodynamically stable?
What is the crystal structure of AgAuO2?
How many polymorphs of AgAuO2 are known?
What elements does AgAuO2 contain?
Where does the data for AgAuO2 come from?
How It Compares
As a unique ternary oxide, AgAuO2 stands as a representative of complex noble metal-based semiconductors. Unlike simpler binary oxides, this compound leverages the specific electronic contributions of both silver and gold to maintain its stable structural framework, positioning it as a specialized material for researchers investigating the synergy between these two distinct transition metals in an oxide lattice.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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