Cu2Nb2O6
Cu2Nb2O6 is a semiconducting ternary oxide catalyst that is considered thermodynamically accessible for experimental synthesis.
About Cu2Nb2O6
Cu2Nb2O6 is a semiconducting oxide that belongs to the broader category of spinel-related materials. Its position near the thermodynamic hull suggests it is a viable candidate for synthesis and experimental characterization in advanced materials research.
As a member of the oxide catalyst class, this compound leverages its electronic structure to facilitate chemical transformations. Its structural versatility, evidenced by multiple reported configurations, makes it a subject of interest for researchers seeking tunable catalytic performance.
Key Properties
Cross-validated computational properties for Cu2Nb2O6, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for Cu2Nb2O6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.96 | 0.0177 | -8.108 | 4.86 |
| No. 0 | unknown | — | — | — | 3.07 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
Applications
Where Cu2Nb2O6 is used.
Frequently Asked Questions
Common questions about Cu2Nb2O6, answered from cross-validated data.
What is Cu2Nb2O6?
Cu2Nb2O6 is a semiconducting ternary oxide catalyst that is considered thermodynamically accessible for experimental synthesis.
What is Cu2Nb2O6 used for?
What is the band gap of Cu2Nb2O6?
Is Cu2Nb2O6 a metal, semiconductor, or insulator?
Is Cu2Nb2O6 thermodynamically stable?
What is the crystal structure of Cu2Nb2O6?
What is the density of Cu2Nb2O6?
How many polymorphs of Cu2Nb2O6 are known?
What elements does Cu2Nb2O6 contain?
Where does the data for Cu2Nb2O6 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized binary oxides such as CuO or ZnO, Cu2Nb2O6 represents a more complex ternary system that balances structural complexity with potential for catalytic activity. While traditional spinels like MgAl2O4 serve as robust structural frameworks, Cu2Nb2O6 offers unique electronic properties that distinguish it from the more conventional perovskite-type oxides like LaAlO3 or LaMnO3.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Cu2Nb2O6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →