BaNa4O3

BaNa4O3 is a metastable, semiconducting ternary oxide composed of barium, sodium, and oxygen.

BaNaO
Crystal structure of BaNa4O3
Ground-state structure · Materials Project
Overview

About BaNa4O3

BaNa4O3 is a complex oxide featuring barium and sodium, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique arrangement of atoms that offers researchers a distinct look into the structural diversity of alkali-alkaline earth metal oxides.

Its existence is supported by multiple reported structural configurations across various databases, highlighting its significance in theoretical and experimental materials studies. While it remains a specialized compound, its electronic behavior makes it a subject of interest for those exploring unconventional semiconductor materials.

At a glance

Key Properties

Cross-validated computational properties for BaNa4O3, aggregated across 3 databases.

Band Gap

1.55–1.79 eV
Range across DFT structures

Energy Above Hull

0.056 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 1 space group
Uses

Applications

Where BaNa4O3 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about BaNa4O3, answered from cross-validated data.

What is BaNa4O3?

BaNa4O3 is a metastable, semiconducting ternary oxide composed of barium, sodium, and oxygen.

More questions
What is BaNa4O3 used for?
BaNa4O3 is used in materials science research and solid-state chemistry studies.
What is the band gap of BaNa4O3?
BaNa4O3 has a DFT-computed band gap of 1.55–1.79 eV across 10 reported structures.
Is BaNa4O3 a metal, semiconductor, or insulator?
With a band gap up to 1.79 eV it is a semiconductor.
Is BaNa4O3 thermodynamically stable?
BaNa4O3 has a lowest energy above hull of 0.056 eV/atom (metastable).
How many polymorphs of BaNa4O3 are known?
10 structures of BaNa4O3 are reported across 3 databases, spanning 1 distinct space group.
What elements does BaNa4O3 contain?
BaNa4O3 contains Ba, Na, and O (3 elements).
Where does the data for BaNa4O3 come from?
BaNa4O3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable oxide, BaNa4O3 occupies a niche position in materials science where its specific stoichiometry challenges standard thermodynamic stability models. It serves as a valuable case study for understanding how complex ternary oxides can be synthesized and stabilized outside of their ground-state configurations.

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

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