TiNb3O6

TiNb3O6 is a thermodynamically stable semiconducting oxide material composed of titanium, niobium, and oxygen.

NbOTi
Crystal structure of TiNb3O6
Ground-state structure · Materials Project
Overview

About TiNb3O6

TiNb3O6 is a complex oxide composed of titanium, niobium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it exhibits a robust structural framework that is highly favorable for solid-state applications.

This material functions as a semiconductor, making it a subject of interest for researchers investigating electronic and optoelectronic properties. Its existence across multiple reported structures suggests a versatile lattice capable of accommodating various physical environments.

At a glance

Key Properties

Cross-validated computational properties for TiNb3O6, aggregated across 3 databases.

Band Gap

0.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where TiNb3O6 is used.

Semiconductor researchElectronic material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about TiNb3O6, answered from cross-validated data.

What is TiNb3O6?

TiNb3O6 is a thermodynamically stable semiconducting oxide material composed of titanium, niobium, and oxygen.

More questions
What is TiNb3O6 used for?
TiNb3O6 is used in semiconductor research, electronic material development, and solid-state chemistry studies.
What is the band gap of TiNb3O6?
TiNb3O6 has a DFT-computed band gap of 0.52 eV across 5 reported structures.
Is TiNb3O6 a metal, semiconductor, or insulator?
With a band gap up to 0.52 eV it is a semiconductor.
Is TiNb3O6 thermodynamically stable?
Yes — TiNb3O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TiNb3O6 are known?
5 structures of TiNb3O6 are reported across 3 databases, spanning 1 distinct space group.
What elements does TiNb3O6 contain?
TiNb3O6 contains Nb, O, and Ti (3 elements).
Where does the data for TiNb3O6 come from?
TiNb3O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct oxide phase, TiNb3O6 represents a stable member of the broader family of mixed-metal niobates. While it stands as a unique structural entity, its semiconducting nature positions it alongside other complex transition metal oxides that are currently being evaluated for their potential in high-performance electronic devices.

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

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