AgCuO2
AgCuO2 is a stable, semiconducting mixed-metal oxide used as a catalyst in advanced chemical synthesis and redox processes.
About AgCuO2
AgCuO2 is a semiconducting oxide that holds a distinct position within the family of spinel-related catalysts. As a thermodynamically stable phase located on the convex hull, it demonstrates structural robustness that makes it a subject of significant interest for researchers investigating complex metal-oxide interactions. Its electronic character allows for unique charge-transfer processes, which are essential for surface-active chemical transformations.
This compound is primarily studied for its potential in catalytic applications where stable, multi-metal oxide architectures are required. Given the high volume of reported structural data, it serves as a well-characterized candidate for understanding how silver and copper synergize within an oxygen-coordinated framework to facilitate redox reactions.
Key Properties
Cross-validated computational properties for AgCuO2, 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.
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 AgCuO2. 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 AgCuO2, 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. |
|---|---|---|---|---|---|
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.0000 | -4.934 | 6.62 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0189 | -4.915 | 6.56 |
| P-1 (No. 2) | triclinic | 0.13 | 0.1689 | -4.765 | 7.44 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 7.92 |
| — | — | — | — | — | 7.92 |
| No. 0 | unknown | — | — | — | 0.91 |
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| — | — | — | — | — | — |
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Applications
Where AgCuO2 is used.
Frequently Asked Questions
Common questions about AgCuO2, answered from cross-validated data.
What is AgCuO2?
AgCuO2 is a stable, semiconducting mixed-metal oxide used as a catalyst in advanced chemical synthesis and redox processes.
What is AgCuO2 used for?
What is the band gap of AgCuO2?
Is AgCuO2 a metal, semiconductor, or insulator?
Is AgCuO2 thermodynamically stable?
What is the crystal structure of AgCuO2?
What is the density of AgCuO2?
How many polymorphs of AgCuO2 are known?
What elements does AgCuO2 contain?
Where does the data for AgCuO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simpler binary oxides in its class such as CuO or NiO, AgCuO2 incorporates multiple transition metal cations that introduce more complex electronic states. While it shares the spinel-related classification with materials like MgAl2O4, its semiconducting nature and specific metal composition distinguish it from the insulating behavior typically seen in simpler aluminates, positioning it as a more reactive alternative for targeted catalytic pathways.
Related Compounds
Other Spinel Oxide Catalysts in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- alexandria — Data from alexandria.
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