Cu2Nb2O6

Cu2Nb2O6 is a semiconducting ternary oxide catalyst that is considered thermodynamically accessible for experimental synthesis.

Crystal structure of Cu2Nb2O6
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Cu2Nb2O6, aggregated across 4 databases.

Band Gap

0.96 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

13
4 databases, 6 space groups
Uses

Applications

Where Cu2Nb2O6 is used.

Heterogeneous catalysisChemical synthesisMaterials science research
Reference

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.

More questions
What is Cu2Nb2O6 used for?
Cu2Nb2O6 is used in heterogeneous catalysis, chemical synthesis, and materials science research.
What is the band gap of Cu2Nb2O6?
Cu2Nb2O6 has a DFT-computed band gap of 0.96 eV across 13 reported structures.
Is Cu2Nb2O6 a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is Cu2Nb2O6 thermodynamically stable?
Cu2Nb2O6 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of Cu2Nb2O6 are known?
13 structures of Cu2Nb2O6 are reported across 4 databases, spanning 6 distinct space groups.
What elements does Cu2Nb2O6 contain?
Cu2Nb2O6 contains Cu, Nb, and O (3 elements).
Where does the data for Cu2Nb2O6 come from?
Cu2Nb2O6 data is cross-referenced from latticegraph.
Comparison

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.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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