CuRhO2
CuRhO2 is a thermodynamically stable, semiconducting ternary oxide used in advanced catalytic research.
About CuRhO2
CuRhO2 is a semiconducting oxide that maintains high thermodynamic stability as a member of the spinel-related catalyst family. Its electronic structure is defined by the interplay between copper and rhodium cations, which dictates its behavior in complex chemical environments. This material is of significant interest for researchers investigating stable, efficient catalysts for specialized oxidation or reduction processes. Its position on the convex hull suggests a robust structural integrity that is highly desirable for long-term catalytic performance. By leveraging the unique redox properties of its metallic constituents, CuRhO2 serves as a foundational material for studying charge transport and surface reactivity in oxide systems.
Key Properties
Cross-validated computational properties for CuRhO2, 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 CuRhO2. 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 CuRhO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.96 | 0.0000 | -0.867 | — |
| R-3m (No. 166) | trigonal | 0.91 | 0.0000 | -0.791 | — |
| R-3m (No. 166) | trigonal | 0.71 | 0.0000 | -6.301 | 7.02 |
| R-3m (No. 166) | trigonal | — | — | — | 7.03 |
| P-1 (No. 2) | triclinic | — | — | — | 7.48 |
| P-1 (No. 2) | triclinic | — | — | — | 7.15 |
| P-1 (No. 2) | triclinic | — | — | — | 7.81 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CuRhO2.
Applications
Where CuRhO2 is used.
Frequently Asked Questions
Common questions about CuRhO2, answered from cross-validated data.
What is CuRhO2?
CuRhO2 is a thermodynamically stable, semiconducting ternary oxide used in advanced catalytic research.
What is CuRhO2 used for?
What is the band gap of CuRhO2?
Is CuRhO2 a metal, semiconductor, or insulator?
Is CuRhO2 thermodynamically stable?
What is the crystal structure of CuRhO2?
How many polymorphs of CuRhO2 are known?
How is CuRhO2 synthesized?
What elements does CuRhO2 contain?
Where does the data for CuRhO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike binary oxides such as CuO or NiO, which often serve as simple model systems, CuRhO2 offers a more complex ternary framework that allows for greater tuning of its catalytic activity. While it shares the spinel-related classification with materials like MgAl2O4, its semiconducting nature and specific cation arrangement distinguish it from the more insulating or highly conductive members of the broader oxide class, positioning it as a specialized candidate for targeted electronic and chemical applications.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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