CoAgO2
CoAgO2 is a thermodynamically stable semiconducting oxide utilized primarily for its potential as a catalyst in oxygen-evolution reactions.
About CoAgO2
CoAgO2 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxide oxygen-evolution catalyst class, it represents a specialized material system where the interplay between silver and cobalt ions influences its electrochemical behavior.
This compound is of interest for its potential in energy conversion technologies. Its structural diversity, evidenced by numerous reported configurations across databases, makes it a compelling subject for researchers aiming to optimize catalytic activity for water splitting and related oxidative processes.
Key Properties
Cross-validated computational properties for CoAgO2, 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 CoAgO2. 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 CoAgO2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.33 | 0.0000 | -5.974 | 7.58 |
| R-3m (No. 166) | trigonal | 0.36 | 0.0000 | -0.921 | — |
| P63/mmc (No. 194) | hexagonal | 0.35 | 0.0011 | -0.919 | — |
| — | — | 0.24 | 0.0431 | -0.853 | — |
| — | — | 0.24 | 0.0449 | -0.851 | — |
| R-3m (No. 166) | trigonal | 1.18 | 0.0750 | -5.899 | 6.64 |
| P63/mmc (No. 194) | hexagonal | 1.19 | 0.0773 | -5.896 | 6.60 |
| — | — | 0.43 | 0.1679 | -0.728 | — |
| — | — | 0.00 | 0.5568 | -0.339 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.6220 | -0.299 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.6340 | -0.287 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.6377 | -5.336 | 5.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CoAgO2.
Applications
Where CoAgO2 is used.
Frequently Asked Questions
Common questions about CoAgO2, answered from cross-validated data.
What is CoAgO2?
CoAgO2 is a thermodynamically stable semiconducting oxide utilized primarily for its potential as a catalyst in oxygen-evolution reactions.
What is CoAgO2 used for?
What is the band gap of CoAgO2?
Is CoAgO2 a metal, semiconductor, or insulator?
Is CoAgO2 thermodynamically stable?
What is the crystal structure of CoAgO2?
What is the density of CoAgO2?
How many polymorphs of CoAgO2 are known?
How is CoAgO2 synthesized?
What elements does CoAgO2 contain?
Where does the data for CoAgO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad category of oxide oxygen-evolution catalysts, CoAgO2 offers a distinct alternative to more common transition metal oxides like LiCoO2 or NiO. While many class members rely on lithium or lanthanum frameworks to stabilize their structures, CoAgO2 utilizes silver to achieve thermodynamic stability, providing a unique electronic environment that differentiates its catalytic performance from standard perovskite-like oxides such as LaMnO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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.
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