Ti3N4

Ti3N4 is a semiconducting titanium nitride ceramic that is widely studied for its diverse structural possibilities in high-temperature material science.

Crystal structure of Ti3N4
Ground-state structure · Materials Project
Overview

About Ti3N4

Ti3N4 is a semiconducting nitride within the ultra-high-temperature ceramic class. Its electronic properties and structural diversity make it a subject of significant interest for materials scientists investigating potential high-performance applications. Although it is characterized as being above the thermodynamic hull, the material remains a focus of intense study due to its large number of reported structural configurations. This complexity highlights the ongoing challenge of synthesizing and stabilizing titanium-based nitrides for extreme environments.

At a glance

Key Properties

Cross-validated computational properties for Ti3N4, aggregated across 3 databases.

Band Gap

0.10–1.76 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

64
3 databases, 13 space groups
Uses

Applications

Where Ti3N4 is used.

High-temperature structural materials researchSemiconductor device developmentAdvanced ceramic coatings
Reference

Frequently Asked Questions

Common questions about Ti3N4, answered from cross-validated data.

What is Ti3N4?

Ti3N4 is a semiconducting titanium nitride ceramic that is widely studied for its diverse structural possibilities in high-temperature material science.

More questions
What is Ti3N4 used for?
Ti3N4 is used in high-temperature structural materials research, semiconductor device development, and advanced ceramic coatings.
What is the band gap of Ti3N4?
Ti3N4 has a DFT-computed band gap of 0.10–1.76 eV across 64 reported structures.
Is Ti3N4 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Ti3N4 thermodynamically stable?
Ti3N4 has a lowest energy above hull of 0.105 eV/atom (above hull).
How many polymorphs of Ti3N4 are known?
64 structures of Ti3N4 are reported across 3 databases, spanning 13 distinct space groups.
What elements does Ti3N4 contain?
Ti3N4 contains N and Ti (2 elements).
Where does the data for Ti3N4 come from?
Ti3N4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the ultra-high-temperature ceramics class.

Within the family of ultra-high-temperature ceramics, Ti3N4 stands out for its structural variety compared to more established, highly stable carbides like HfC or ZrC. While siblings such as Hf3N4 share similar nitrogen-rich stoichiometry, Ti3N4 is distinguished by its unique semiconducting behavior and the notable breadth of its reported structural data, positioning it as a distinct, albeit challenging, member of the nitride subgroup.

Explore

Related Compounds

Other Ultra-High-Temperature Ceramics in the database.

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

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