BaO

Barium oxide · Baryta

Barium oxide is a stable, semiconducting inorganic compound primarily used in the production of specialty glass and ceramic materials.

BaO
Crystal structure of BaO
Ground-state structure · Materials Project
Overview

About Barium oxide

Barium oxide is a thermodynamically stable compound that serves as a fundamental building block in inorganic chemistry. Its electronic character as a semiconductor makes it a subject of significant interest for researchers studying oxide-based materials and their potential for electronic applications.

Due to its high stability, this compound is widely utilized in industrial processes, particularly in the production of specialty glasses and ceramics. Its role as a precursor in various chemical syntheses underscores its importance in modern materials science and engineering.

At a glance

Key Properties

Cross-validated computational properties for Barium oxide, aggregated across 5 databases.

Band Gap

1.30–2.77 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

157
5 databases, 24 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of BaO. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, nomad

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BaO.

Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where Barium oxide is used.

Specialty glass manufacturingCeramic productionChemical synthesis precursorCathode ray tube coatings
Intellectual Property

Patent Landscape

13 patents reference BaO or close compositional variants.

PatentTitleAssigneeGranted
5695725Method of preparing monoclinic BaO.A1.sub.2 O.sub.3.2SiO.sub.2
4548910Dielectric ceramic of BaO-TiO.sub.2 and SnO.sub.2
5578534Method of producing Sl.sub.3 N.sub.4 reinforced monoclinic BaO.multidot.Al.sub.2 O.sub.3 .multidot.2SiO.sub.2
4020234High-alumina content compositions containing BaO-MgO-SiO.sub.2 glass and sintered ceramic articles made theref
5538925Si.sub.3 N.sub.4 reinforced monoclinic BaO.Al.sub.2 O.sub.3 .circle-solid.2S.sub.2 and SrO.Al.sub.2 O.sub.3.2S
3935017High-alumina content compositions containing BaO-MgO-SiO.sub.2 glass and sintered ceramic articles made theref
4606906Process of synthesizing mixed BaO-TiO.sub.2 based powders for ceramic applications
4353047(1-x)BaO.xTiO.sub.2 System dielectric material for use in a microwave device
5272122BaO-xTiO.sub.2 dielectric ceramic composition
5182240Dielectric ceramic composition of BaO, TiO.sub.2,Nd.sub.2 O.sub.3, Sm.sub.2 .sub.3 and Al.sub.2 O.sub.3
Reference

Frequently Asked Questions

Common questions about Barium oxide, answered from cross-validated data.

What is BaO?

Barium oxide is a stable, semiconducting inorganic compound primarily used in the production of specialty glass and ceramic materials.

More questions
What is BaO used for?
Barium oxide (BaO) is used in specialty glass manufacturing, ceramic production, chemical synthesis precursor, and cathode ray tube coatings.
What is the band gap of BaO?
Barium oxide (BaO) has a DFT-computed band gap of 1.30–2.77 eV across 157 reported structures.
Is BaO a metal, semiconductor, or insulator?
With a band gap up to 2.77 eV it is a semiconductor.
Is BaO thermodynamically stable?
Yes — Barium oxide (BaO) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaO are known?
157 structures of BaO are reported across 5 databases, spanning 24 distinct space groups.
How is BaO synthesized?
Literature-reported routes for BaO include sol gel.
What elements does BaO contain?
Barium oxide (BaO) contains Ba and O (2 elements).
Where does the data for BaO come from?
BaO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary oxide of barium, this compound serves as a critical reference point for understanding alkaline earth metal oxides. It is a highly characterized material with extensive structural data available, establishing it as a foundational component for comparative studies in oxide chemistry.

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

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