Ag2O3
silver(III) oxide · silver sesquioxide
Silver(III) oxide is a semiconducting binary compound of silver and oxygen that is considered a promising candidate for synthesis due to its proximity to the thermodynamic stability hull.
About silver(III) oxide
Silver(III) oxide is a high-oxidation-state binary compound that functions as a semiconductor. Its position near the thermodynamic stability hull suggests it is a viable candidate for experimental synthesis and characterization within the broader family of silver-oxygen systems.
This material is significant for researchers exploring unconventional oxidation states in transition metal oxides. Due to its electronic character and structural complexity, it serves as a critical model for understanding the stability limits of silver-based compounds in various chemical environments.
Key Properties
Cross-validated computational properties for silver(III) oxide, aggregated across 6 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 Ag2O3. 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 Ag2O3, 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. |
|---|---|---|---|---|---|
| Fdd2 (No. 43) | orthorhombic | 0.34 | 0.0195 | -4.461 | 7.02 |
| Fdd2 (No. 43) | orthorhombic | 0.45 | 0.0590 | -0.122 | — |
| — | — | 0.42 | 0.0783 | -0.188 | — |
| — | — | 0.00 | 0.1833 | -0.083 | — |
| Pn-3m (No. 224) | cubic | 0.00 | 0.1897 | -4.291 | 6.58 |
| — | — | 0.00 | 0.2394 | -0.027 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2563 | -4.224 | 6.18 |
| Pn-3m (No. 224) | cubic | 0.00 | 0.2576 | 0.076 | — |
| — | — | 0.00 | 0.5424 | 0.276 | — |
| — | — | 0.00 | 0.6172 | 0.351 | — |
| P-4m2 (No. 115) | tetragonal | — | — | — | 7.55 |
| P-1 (No. 2) | triclinic | — | — | — | 7.46 |
Applications
Where silver(III) oxide is used.
Frequently Asked Questions
Common questions about silver(III) oxide, answered from cross-validated data.
What is Ag2O3?
Silver(III) oxide is a semiconducting binary compound of silver and oxygen that is considered a promising candidate for synthesis due to its proximity to the thermodynamic stability hull.
What is Ag2O3 used for?
What is the band gap of Ag2O3?
Is Ag2O3 a metal, semiconductor, or insulator?
Is Ag2O3 thermodynamically stable?
What is the crystal structure of Ag2O3?
What is the density of Ag2O3?
How many polymorphs of Ag2O3 are known?
What elements does Ag2O3 contain?
Where does the data for Ag2O3 come from?
How It Compares
As a unique high-valent silver oxide, this compound occupies a specialized niche in materials science, representing a challenging target for synthesis compared to the more common, lower-oxidation-state silver oxides.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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