AgAuO2
This compound is a mixed-metal oxide containing silver and gold. It is primarily studied in the context of materials science research regarding noble metal oxides and their potential electronic or catalytic properties.
AgAuO
Overview
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.
0.65 eV
Range across DFT structures
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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
3 databases, 3 space groups
Crystallography
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 | 0.65 | 0.0000 | -4.473 | 9.67 |
| 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) | — | — | — | — | — |
| Pmna (No. 53) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| I4122 (No. 98) | Tetragonal | — | — | — | 8.95 |
| I4122 (No. 98) | Tetragonal | — | — | — | 9.71 |
| I4122 (No. 98) | Tetragonal | — | — | — | 9.37 |
| P21/c (No. 14) | Monoclinic | — | — | — | 9.12 |
| P21/c (No. 14) | Monoclinic | — | — | — | 9.92 |
| P21/c (No. 14) | Monoclinic | — | — | — | 9.53 |
Uses
Applications
Where AgAuO2 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about AgAuO2, answered from cross-validated data.
What is AgAuO2?
This compound is a mixed-metal oxide containing silver and gold. It is primarily studied in the context of materials science research regarding noble metal oxides and their potential electronic or catalytic properties.
More questions
What is AgAuO2 used for?
AgAuO2 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of AgAuO2?
AgAuO2 has a DFT-computed band gap of 0.65 eV across 15 reported structures.
Is AgAuO2 a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is AgAuO2 thermodynamically stable?
Yes — AgAuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AgAuO2?
The lowest-energy reported polymorph of AgAuO2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AgAuO2?
The computed density of the ground-state structure of AgAuO2 is 9.67 g/cm³.
How many polymorphs of AgAuO2 are known?
15 structures of AgAuO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AgAuO2 contain?
AgAuO2 contains Ag, Au, and O (3 elements).
Where does the data for AgAuO2 come from?
AgAuO2 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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