Li2TiFe2O5

Li2TiFe2O5 is a metastable, semiconducting titanate oxide used in research for advanced lithium-ion battery anode applications.

Crystal structure of Li2TiFe2O5
Ground-state structure · Materials Project
Overview

About Li2TiFe2O5

Li2TiFe2O5 is a complex oxide belonging to the titanate anode class, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement of lithium, titanium, iron, and oxygen that offers distinct pathways for ion transport in electrochemical systems. Its structural complexity is underscored by the significant number of reported configurations found across major materials databases.

This compound is primarily investigated for its role in next-generation energy storage technologies, where titanates are favored for their structural stability and safety profiles. By leveraging the redox activity of transition metals within the lattice, Li2TiFe2O5 serves as a subject of intense study for researchers aiming to optimize electrode performance beyond traditional lithium-ion battery materials.

At a glance

Key Properties

Cross-validated computational properties for Li2TiFe2O5, aggregated across 3 databases.

Band Gap

0.97–1.68 eV
Range across DFT structures

Energy Above Hull

0.038 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

25
3 databases, 6 space groups
Uses

Applications

Where Li2TiFe2O5 is used.

Lithium-ion battery anodesElectrochemical energy storage research
Reference

Frequently Asked Questions

Common questions about Li2TiFe2O5, answered from cross-validated data.

What is Li2TiFe2O5?

Li2TiFe2O5 is a metastable, semiconducting titanate oxide used in research for advanced lithium-ion battery anode applications.

More questions
What is Li2TiFe2O5 used for?
Li2TiFe2O5 is used in lithium-ion battery anodes and electrochemical energy storage research.
What is the band gap of Li2TiFe2O5?
Li2TiFe2O5 has a DFT-computed band gap of 0.97–1.68 eV across 25 reported structures.
Is Li2TiFe2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.68 eV it is a semiconductor.
Is Li2TiFe2O5 thermodynamically stable?
Li2TiFe2O5 has a lowest energy above hull of 0.038 eV/atom (metastable).
How many polymorphs of Li2TiFe2O5 are known?
25 structures of Li2TiFe2O5 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Li2TiFe2O5 contain?
Li2TiFe2O5 contains Fe, Li, O, and Ti (4 elements).
Where does the data for Li2TiFe2O5 come from?
Li2TiFe2O5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse family of titanate anodes, Li2TiFe2O5 occupies a specialized niche compared to more common members like Li2TiO3. While compounds such as Li2TiO3 are often studied for their structural robustness and simple stoichiometry, Li2TiFe2O5 introduces iron into the framework, creating a more intricate electronic environment that differentiates it from the simpler binary or ternary titanate structures like Li2Ti3O7.

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Related Compounds

Other Titanate Anodes in the database.

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

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