Ba2Ti3O8

Ba2Ti3O8 is a semiconducting barium titanate oxide that exists in a metastable state.

Crystal structure of Ba2Ti3O8
Ground-state structure · Materials Project
Overview

About Ba2Ti3O8

Ba2Ti3O8 is a complex oxide composed of barium, titanium, and oxygen. As a member of the perovskite-related oxide family, it exhibits semiconducting electronic characteristics that are of interest for specialized dielectric and electronic research applications. The compound is categorized as being above the thermodynamic hull, suggesting it is a metastable phase. Its structural configuration reflects the intricate coordination chemistry inherent to barium-titanate systems, distinguishing it from more common, highly stable perovskite phases.

At a glance

Key Properties

Cross-validated computational properties for Ba2Ti3O8, aggregated across 3 databases.

Band Gap

0.73 eV
Range across DFT structures

Energy Above Hull

0.209 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 3 space groups
Uses

Applications

Where Ba2Ti3O8 is used.

Dielectric researchSemiconductor materials developmentAdvanced ceramics studies
Reference

Frequently Asked Questions

Common questions about Ba2Ti3O8, answered from cross-validated data.

What is Ba2Ti3O8?

Ba2Ti3O8 is a semiconducting barium titanate oxide that exists in a metastable state.

More questions
What is Ba2Ti3O8 used for?
Ba2Ti3O8 is used in dielectric research, semiconductor materials development, and advanced ceramics studies.
What is the band gap of Ba2Ti3O8?
Ba2Ti3O8 has a DFT-computed band gap of 0.73 eV across 3 reported structures.
Is Ba2Ti3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.73 eV it is a semiconductor.
Is Ba2Ti3O8 thermodynamically stable?
Ba2Ti3O8 has a lowest energy above hull of 0.209 eV/atom (above hull).
How many polymorphs of Ba2Ti3O8 are known?
3 structures of Ba2Ti3O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ba2Ti3O8 contain?
Ba2Ti3O8 contains Ba, O, and Ti (3 elements).
Where does the data for Ba2Ti3O8 come from?
Ba2Ti3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the perovskite oxides class.

Unlike the highly stable and widely utilized BaTiO3, which serves as a cornerstone for ferroelectric and capacitor applications, Ba2Ti3O8 represents a more exotic and less thermodynamically favored stoichiometry. While materials like LaNiO3 or LaMnO3 are frequently studied for their metallic or magnetic properties, Ba2Ti3O8 occupies a niche space as a semiconducting oxide that requires specific synthesis conditions to stabilize its unique structural framework.

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Related Compounds

Other Perovskite Oxides in the database.

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

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