Ba3Ti2O7

Ba3Ti2O7 is a metastable semiconducting perovskite oxide used in advanced materials research.

Crystal structure of Ba3Ti2O7
Ground-state structure · Materials Project
Overview

About Ba3Ti2O7

Ba3Ti2O7 is a complex perovskite oxide that exists in a metastable state. Its semiconducting electronic character makes it an intriguing subject for researchers investigating the interplay between structural geometry and charge transport properties in oxide systems.

This material is primarily utilized in fundamental materials science research to explore the limits of perovskite-related phase stability. Its existence across multiple reported structures highlights the structural diversity inherent in barium-titanium-oxygen systems.

At a glance

Key Properties

Cross-validated computational properties for Ba3Ti2O7, aggregated across 3 databases.

Band Gap

2.27 eV
Range across DFT structures

Energy Above Hull

0.032 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Ba3Ti2O7 is used.

Fundamental materials science researchOxide electronics development
Reference

Frequently Asked Questions

Common questions about Ba3Ti2O7, answered from cross-validated data.

What is Ba3Ti2O7?

Ba3Ti2O7 is a metastable semiconducting perovskite oxide used in advanced materials research.

More questions
What is Ba3Ti2O7 used for?
Ba3Ti2O7 is used in fundamental materials science research and oxide electronics development.
What is the band gap of Ba3Ti2O7?
Ba3Ti2O7 has a DFT-computed band gap of 2.27 eV across 5 reported structures.
Is Ba3Ti2O7 a metal, semiconductor, or insulator?
With a band gap up to 2.27 eV it is a semiconductor.
Is Ba3Ti2O7 thermodynamically stable?
Ba3Ti2O7 has a lowest energy above hull of 0.032 eV/atom (metastable).
How many polymorphs of Ba3Ti2O7 are known?
5 structures of Ba3Ti2O7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba3Ti2O7 contain?
Ba3Ti2O7 contains Ba, O, and Ti (3 elements).
Where does the data for Ba3Ti2O7 come from?
Ba3Ti2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the perovskite oxides class.

Within the broad family of perovskite oxides, Ba3Ti2O7 occupies a distinct niche compared to highly stable, widely utilized members like BaTiO3. While BaTiO3 is a cornerstone of dielectric applications due to its robust stability, Ba3Ti2O7 represents a more complex, metastable phase that challenges standard synthesis pathways, contrasting with the well-characterized perovskites such as LaMnO3 or LaFeO3.

Explore

Related Compounds

Other Perovskite Oxides in the database.

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

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