Ti2CrO5

Ti2CrO5 is a metastable, semiconducting transition metal oxide used primarily in advanced research for catalytic applications.

Crystal structure of Ti2CrO5
Ground-state structure · Materials Project
Overview

About Ti2CrO5

Ti2CrO5 is a semiconducting oxide that belongs to the broader family of spinel-related catalytic materials. As a metastable compound, it represents a specialized phase that offers unique chemical reactivity for researchers investigating complex transition metal oxide systems.

This material is of significant interest in materials science due to its electronic characteristics, which facilitate specific charge-transfer processes. Its existence across multiple structural configurations underscores its versatility as a subject for experimental and computational studies in catalytic design.

At a glance

Key Properties

Cross-validated computational properties for Ti2CrO5, aggregated across 3 databases.

Band Gap

0.30 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 Ti2CrO5 is used.

Catalytic researchSemiconductor material studiesTransition metal oxide development
Reference

Frequently Asked Questions

Common questions about Ti2CrO5, answered from cross-validated data.

What is Ti2CrO5?

Ti2CrO5 is a metastable, semiconducting transition metal oxide used primarily in advanced research for catalytic applications.

More questions
What is Ti2CrO5 used for?
Ti2CrO5 is used in catalytic research, semiconductor material studies, and transition metal oxide development.
What is the band gap of Ti2CrO5?
Ti2CrO5 has a DFT-computed band gap of 0.30 eV across 5 reported structures.
Is Ti2CrO5 a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is Ti2CrO5 thermodynamically stable?
Ti2CrO5 has a lowest energy above hull of 0.032 eV/atom (metastable).
How many polymorphs of Ti2CrO5 are known?
5 structures of Ti2CrO5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ti2CrO5 contain?
Ti2CrO5 contains Cr, O, and Ti (3 elements).
Where does the data for Ti2CrO5 come from?
Ti2CrO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the diverse group of spinel and perovskite-related oxides like ZnO, NiO, and LaMnO3, Ti2CrO5 occupies a niche as a metastable semiconducting phase. While stable insulators like MgAl2O4 or Al2O3 are often utilized for structural support, Ti2CrO5 is primarily investigated for its potential to participate in active catalytic mechanisms where electronic conductivity and structural flexibility are critical.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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