BaCO3

Witherite · barium carbonate

Barium carbonate is a stable, insulating inorganic compound widely used as a source of barium in the glass, ceramic, and electronics industries.

BaCO
Crystal structure of BaCO3
Ground-state structure · Materials Project
Overview

About Witherite

Barium carbonate is a naturally occurring mineral and a synthetically produced chemical compound characterized as a wide-band-gap insulator. Its high thermodynamic stability ensures it remains a reliable and consistent precursor in various high-temperature chemical processes. The compound is widely utilized in industrial applications ranging from the production of specialty glass and optical lenses to the synthesis of complex electroceramic materials. Its ability to act as a stable source of barium ions makes it indispensable in modern materials engineering.

At a glance

Key Properties

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

Band Gap

0.86–4.47 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

43
3 databases, 12 space groups
Uses

Applications

Where Witherite is used.

Glass manufacturingCeramic glazesElectronic component productionFlux for weldingPrecursor for barium titanate
Intellectual Property

Patent Landscape

1 patent reference BaCO3 or close compositional variants.

PatentTitleAssigneeGranted
4226635Extended BaCO.sub.3 for brick scum prevention
Reference

Frequently Asked Questions

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

What is BaCO3?

Barium carbonate is a stable, insulating inorganic compound widely used as a source of barium in the glass, ceramic, and electronics industries.

More questions
What is BaCO3 used for?
Witherite (BaCO3) is used in glass manufacturing, ceramic glazes, electronic component production, flux for welding, and precursor for barium titanate.
What is the band gap of BaCO3?
Witherite (BaCO3) has a DFT-computed band gap of 0.86–4.47 eV across 43 reported structures.
Is BaCO3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.47 eV it is an insulator / wide-band-gap material.
Is BaCO3 thermodynamically stable?
Yes — Witherite (BaCO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaCO3 are known?
43 structures of BaCO3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does BaCO3 contain?
Witherite (BaCO3) contains Ba, C, and O (3 elements).
Where does the data for BaCO3 come from?
BaCO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary barium-containing compound, BaCO3 serves as a foundational material for the synthesis of complex oxides and electronic ceramics, acting as the standard reference point for barium-based chemical precursors in industrial and laboratory settings.

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

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