Ti3O5

Ti3O5 is a thermodynamically stable titanium oxide characterized by its semimetallic electronic properties and diverse structural arrangements.

OTi
Crystal structure of Ti3O5
Ground-state structure · Materials Project
Overview

About Ti3O5

Ti3O5 is a thermodynamically stable titanium oxide that occupies a unique position on the convex hull of the titanium-oxygen system. Its electronic character is defined as a near-zero-gap semimetallic material, distinguishing it from the more common insulating titanium oxides.

With extensive structural data available across multiple databases, this compound is recognized for its significant polymorphism. Its ability to transition between various structural phases makes it a subject of interest for researchers investigating phase-change materials and specialized electronic components.

At a glance

Key Properties

Cross-validated computational properties for Ti3O5, aggregated across 3 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

44
3 databases, 12 space groups
Uses

Applications

Where Ti3O5 is used.

Phase-change memory devicesPhotothermal materialsAdvanced electronic components
Reference

Frequently Asked Questions

Common questions about Ti3O5, answered from cross-validated data.

What is Ti3O5?

Ti3O5 is a thermodynamically stable titanium oxide characterized by its semimetallic electronic properties and diverse structural arrangements.

More questions
What is Ti3O5 used for?
Ti3O5 is used in phase-change memory devices, photothermal materials, and advanced electronic components.
What is the band gap of Ti3O5?
Ti3O5 has a DFT-computed band gap of 0.07 eV across 44 reported structures.
Is Ti3O5 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ti3O5 thermodynamically stable?
Yes — Ti3O5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ti3O5 are known?
44 structures of Ti3O5 are reported across 3 databases, spanning 12 distinct space groups.
What elements does Ti3O5 contain?
Ti3O5 contains O and Ti (2 elements).
Where does the data for Ti3O5 come from?
Ti3O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable phase, Ti3O5 represents a critical equilibrium point in the titanium-oxygen system. While many oxides in this class are insulators, Ti3O5 stands out for its semimetallic behavior, providing a unique electronic profile that bridges the gap between traditional metallic conductors and wide-gap dielectric oxides.

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

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