Ba2Na2O3

Ba2Na2O3 is a metastable semiconducting oxide composed of barium, sodium, and oxygen.

BaNaO
Crystal structure of Ba2Na2O3
Ground-state structure · Materials Project
Overview

About Ba2Na2O3

Ba2Na2O3 is a semiconducting oxide characterized by its metastable nature. It represents a complex arrangement of barium, sodium, and oxygen atoms that highlights the intricate phase space of alkali-alkaline earth metal oxides.

Because of its metastable state, this compound is of significant interest to researchers studying phase stability and structural transformations. It serves as a unique subject for investigating how specific stoichiometry influences electronic behavior in unconventional oxide systems.

At a glance

Key Properties

Cross-validated computational properties for Ba2Na2O3, aggregated across 3 databases.

Band Gap

2.17–2.30 eV
Range across DFT structures

Energy Above Hull

0.081 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Ba2Na2O3 is used.

Solid-state chemistry researchMaterials science phase stability studiesExploratory semiconductor development
Reference

Frequently Asked Questions

Common questions about Ba2Na2O3, answered from cross-validated data.

What is Ba2Na2O3?

Ba2Na2O3 is a metastable semiconducting oxide composed of barium, sodium, and oxygen.

More questions
What is Ba2Na2O3 used for?
Ba2Na2O3 is used in solid-state chemistry research, materials science phase stability studies, and exploratory semiconductor development.
What is the band gap of Ba2Na2O3?
Ba2Na2O3 has a DFT-computed band gap of 2.17–2.30 eV across 6 reported structures.
Is Ba2Na2O3 a metal, semiconductor, or insulator?
With a band gap up to 2.30 eV it is a semiconductor.
Is Ba2Na2O3 thermodynamically stable?
Ba2Na2O3 has a lowest energy above hull of 0.081 eV/atom (metastable).
How many polymorphs of Ba2Na2O3 are known?
6 structures of Ba2Na2O3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba2Na2O3 contain?
Ba2Na2O3 contains Ba, Na, and O (3 elements).
Where does the data for Ba2Na2O3 come from?
Ba2Na2O3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable semiconducting oxide, Ba2Na2O3 occupies a specialized niche in materials science where structural diversity is driven by the interplay between its constituent elements. Unlike more common, highly stable binary oxides, this compound provides a critical case study in the synthesis and characterization of materials that exist outside of traditional thermodynamic equilibrium.

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

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