NaO3

NaO3 is a metastable semiconducting compound composed of sodium and oxygen that exhibits significant structural variety.

NaO
Crystal structure of NaO3
Ground-state structure · Materials Project
Overview

About NaO3

NaO3 is a semiconducting sodium oxide that exists in a metastable state. It is characterized by a high degree of structural diversity, with numerous distinct configurations documented across material databases, highlighting its complex nature in solid-state chemistry. Due to its unique electronic properties and metastable character, this compound serves as a subject of significant interest for researchers investigating high-energy density materials and novel oxide phases. Its behavior provides insights into the bonding interactions between alkali metals and oxygen under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for NaO3, aggregated across 3 databases.

Band Gap

0.61 eV
Range across DFT structures

Energy Above Hull

0.085 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

65
3 databases, 16 space groups
Uses

Applications

Where NaO3 is used.

Fundamental solid-state researchHigh-energy density material studiesChemical synthesis exploration
Reference

Frequently Asked Questions

Common questions about NaO3, answered from cross-validated data.

What is NaO3?

NaO3 is a metastable semiconducting compound composed of sodium and oxygen that exhibits significant structural variety.

More questions
What is NaO3 used for?
NaO3 is used in fundamental solid-state research, high-energy density material studies, and chemical synthesis exploration.
What is the band gap of NaO3?
NaO3 has a DFT-computed band gap of 0.61 eV across 65 reported structures.
Is NaO3 a metal, semiconductor, or insulator?
With a band gap up to 0.61 eV it is a semiconductor.
Is NaO3 thermodynamically stable?
NaO3 has a lowest energy above hull of 0.085 eV/atom (metastable).
How many polymorphs of NaO3 are known?
65 structures of NaO3 are reported across 3 databases, spanning 16 distinct space groups.
What elements does NaO3 contain?
NaO3 contains Na and O (2 elements).
Where does the data for NaO3 come from?
NaO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct oxide phase, NaO3 represents a specialized member of the sodium-oxygen system, occupying a unique position compared to more common, highly stable sodium oxides. Its metastable nature suggests specific synthetic pathways are required to access its structure, setting it apart from simpler, thermodynamically favored compositions.

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

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