Na6CuO4

Na6CuO4 is a metastable, semiconducting copper-based oxide studied for its unique structural properties in inorganic materials science.

CuNaO
Crystal structure of Na6CuO4
Ground-state structure · Materials Project
Overview

About Na6CuO4

Na6CuO4 is a complex copper-based oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the copper-sodium-oxygen system, offering researchers insights into unconventional coordination environments for copper ions.

Its significance lies in its structural diversity, as evidenced by multiple reported configurations in materials databases. This compound serves as a valuable subject for fundamental studies into the synthesis and stability of metal-rich oxides that do not readily form under standard equilibrium conditions.

At a glance

Key Properties

Cross-validated computational properties for Na6CuO4, aggregated across 3 databases.

Band Gap

0.31 eV
Range across DFT structures

Energy Above Hull

0.080 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Na6CuO4 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Na6CuO4, answered from cross-validated data.

What is Na6CuO4?

Na6CuO4 is a metastable, semiconducting copper-based oxide studied for its unique structural properties in inorganic materials science.

More questions
What is Na6CuO4 used for?
Na6CuO4 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Na6CuO4?
Na6CuO4 has a DFT-computed band gap of 0.31 eV across 9 reported structures.
Is Na6CuO4 a metal, semiconductor, or insulator?
With a band gap up to 0.31 eV it is a semiconductor.
Is Na6CuO4 thermodynamically stable?
Na6CuO4 has a lowest energy above hull of 0.080 eV/atom (metastable).
How many polymorphs of Na6CuO4 are known?
9 structures of Na6CuO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Na6CuO4 contain?
Na6CuO4 contains Cu, Na, and O (3 elements).
Where does the data for Na6CuO4 come from?
Na6CuO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized copper oxide phase, Na6CuO4 occupies a distinct niche in inorganic chemistry, characterized by its metastable nature and semiconducting properties. Unlike more common, highly stable binary oxides, this compound highlights the complex interplay of alkali metal coordination and transition metal oxidation states in non-equilibrium solid-state chemistry.

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

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