Na3CuO2

Na3CuO2 is a thermodynamically stable semiconducting compound containing sodium, copper, and oxygen that is highly regarded for its structural complexity.

CuNaO
Crystal structure of Na3CuO2
Ground-state structure · Materials Project
Overview

About Na3CuO2

Na3CuO2 is a distinct inorganic compound composed of sodium, copper, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, drawing significant interest from researchers investigating complex oxide materials. Its semiconducting electronic character makes it a subject of study for potential applications in electronic and optoelectronic devices where specific charge transport properties are required. The material is characterized by a high degree of structural diversity, as evidenced by the numerous reported configurations documented across various materials databases. This structural richness suggests a complex energy landscape that allows for multiple atomic arrangements, providing a fertile ground for exploring structure-property relationships in copper-based oxides.

At a glance

Key Properties

Cross-validated computational properties for Na3CuO2, aggregated across 3 databases.

Band Gap

1.15–1.72 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

21
3 databases, 7 space groups
Uses

Applications

Where Na3CuO2 is used.

Materials science researchSemiconductor device developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Na3CuO2, answered from cross-validated data.

What is Na3CuO2?

Na3CuO2 is a thermodynamically stable semiconducting compound containing sodium, copper, and oxygen that is highly regarded for its structural complexity.

More questions
What is Na3CuO2 used for?
Na3CuO2 is used in materials science research, semiconductor device development, and solid-state chemistry studies.
What is the band gap of Na3CuO2?
Na3CuO2 has a DFT-computed band gap of 1.15–1.72 eV across 21 reported structures.
Is Na3CuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.72 eV it is a semiconductor.
Is Na3CuO2 thermodynamically stable?
Yes — Na3CuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na3CuO2 are known?
21 structures of Na3CuO2 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Na3CuO2 contain?
Na3CuO2 contains Cu, Na, and O (3 elements).
Where does the data for Na3CuO2 come from?
Na3CuO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of its chemical family, Na3CuO2 serves as a foundational reference point for understanding the stability and electronic behavior of sodium-copper-oxygen systems. While it exists as a singular entity in this context, its position on the convex hull highlights its importance as a stable baseline against which other, less stable or metastable copper-based phases can be compared and evaluated.

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

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