TiCrO3

TiCrO3 is a semiconducting transition metal oxide that is studied for its potential catalytic properties despite its metastable nature.

Crystal structure of TiCrO3
Ground-state structure · Materials Project
Overview

About TiCrO3

TiCrO3 is a semiconducting oxide that belongs to the broader family of spinel-related catalytic materials. Its electronic structure suggests potential utility in redox-active environments where semiconducting behavior is required for charge transfer processes. Although it is characterized by multiple reported structural configurations, its position above the thermodynamic hull indicates that it may be metastable under standard conditions. This metastability is a key focus for researchers investigating synthesis pathways for complex transition metal oxides. The material's ability to host both titanium and chromium ions makes it an intriguing candidate for specialized catalytic applications where synergistic metal interactions are necessary. Its structural versatility, evidenced by its presence in multiple database entries, highlights its role as a subject of ongoing computational and experimental study.

At a glance

Key Properties

Cross-validated computational properties for TiCrO3, aggregated across 3 databases.

Band Gap

0.43 eV
Range across DFT structures

Energy Above Hull

0.119 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where TiCrO3 is used.

Catalytic researchTransition metal oxide developmentSemiconductor materials study
Reference

Frequently Asked Questions

Common questions about TiCrO3, answered from cross-validated data.

What is TiCrO3?

TiCrO3 is a semiconducting transition metal oxide that is studied for its potential catalytic properties despite its metastable nature.

More questions
What is TiCrO3 used for?
TiCrO3 is used in catalytic research, transition metal oxide development, and semiconductor materials study.
What is the band gap of TiCrO3?
TiCrO3 has a DFT-computed band gap of 0.43 eV across 6 reported structures.
Is TiCrO3 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is TiCrO3 thermodynamically stable?
TiCrO3 has a lowest energy above hull of 0.119 eV/atom (above hull).
How many polymorphs of TiCrO3 are known?
6 structures of TiCrO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does TiCrO3 contain?
TiCrO3 contains Cr, O, and Ti (3 elements).
Where does the data for TiCrO3 come from?
TiCrO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized MgAl2O4 or the robust binary oxides like NiO and ZnO, TiCrO3 exists in a more precarious thermodynamic state. While perovskite-structured relatives such as LaMnO3 or LaNiO3 are frequently employed for their stable catalytic frameworks, TiCrO3 represents a more exotic, less conventional member of the oxide catalyst class that challenges standard synthesis techniques due to its energetic profile.

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Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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