BaNa2O2

BaNa2O2 is a metastable semiconducting ternary oxide containing barium, sodium, and oxygen.

BaNaO
Crystal structure of BaNa2O2
Ground-state structure · Materials Project
Overview

About BaNa2O2

BaNa2O2 is a ternary oxide compound composed of barium, sodium, and oxygen. As a semiconducting material, it represents a unique intersection of alkaline earth and alkali metal chemistry, offering distinct electronic properties that differentiate it from simpler binary oxides. The compound is characterized as metastable, which makes it a subject of significant interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures highlights the complexity of its bonding environment.

At a glance

Key Properties

Cross-validated computational properties for BaNa2O2, aggregated across 3 databases.

Band Gap

1.52–1.95 eV
Range across DFT structures

Energy Above Hull

0.062 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about BaNa2O2, answered from cross-validated data.

What is BaNa2O2?

BaNa2O2 is a metastable semiconducting ternary oxide containing barium, sodium, and oxygen.

More questions
What is the band gap of BaNa2O2?
BaNa2O2 has a DFT-computed band gap of 1.52–1.95 eV across 9 reported structures.
Is BaNa2O2 a metal, semiconductor, or insulator?
With a band gap up to 1.95 eV it is a semiconductor.
Is BaNa2O2 thermodynamically stable?
BaNa2O2 has a lowest energy above hull of 0.062 eV/atom (metastable).
How many polymorphs of BaNa2O2 are known?
9 structures of BaNa2O2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does BaNa2O2 contain?
BaNa2O2 contains Ba, Na, and O (3 elements).
Where does the data for BaNa2O2 come from?
BaNa2O2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary oxide, BaNa2O2 occupies a specialized niche in materials science. Without direct structural analogs in this specific class, it serves as an important reference point for understanding how the integration of barium and sodium cations influences the electronic behavior of complex oxygen-based lattices.

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

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