Li2Ti2FeO6

Li2Ti2FeO6 is a metastable, semiconducting iron-titanium oxide used in the study of advanced anode materials for energy storage.

Crystal structure of Li2Ti2FeO6
Ground-state structure · Materials Project
Overview

About Li2Ti2FeO6

Li2Ti2FeO6 is a complex oxide belonging to the titanate anode family. As a semiconducting material, it represents a unique intersection of lithium-ion chemistry and transition metal oxide frameworks, offering an alternative structural approach for electrochemical applications. Its metastable nature suggests a complex synthesis landscape, making it a subject of interest for researchers exploring novel electrode architectures.

Because of its specific elemental composition involving iron and titanium, this compound is investigated for its potential to facilitate ion transport and charge storage. Its role as a titanate anode positions it within the broader effort to develop sustainable and high-performance materials for next-generation battery technologies.

At a glance

Key Properties

Cross-validated computational properties for Li2Ti2FeO6, aggregated across 3 databases.

Band Gap

1.98 eV
Range across DFT structures

Energy Above Hull

0.095 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li2Ti2FeO6 is used.

Battery electrode researchEnergy storage material development
Reference

Frequently Asked Questions

Common questions about Li2Ti2FeO6, answered from cross-validated data.

What is Li2Ti2FeO6?

Li2Ti2FeO6 is a metastable, semiconducting iron-titanium oxide used in the study of advanced anode materials for energy storage.

More questions
What is Li2Ti2FeO6 used for?
Li2Ti2FeO6 is used in battery electrode research and energy storage material development.
What is the band gap of Li2Ti2FeO6?
Li2Ti2FeO6 has a DFT-computed band gap of 1.98 eV across 5 reported structures.
Is Li2Ti2FeO6 a metal, semiconductor, or insulator?
With a band gap up to 1.98 eV it is a semiconductor.
Is Li2Ti2FeO6 thermodynamically stable?
Li2Ti2FeO6 has a lowest energy above hull of 0.095 eV/atom (metastable).
How many polymorphs of Li2Ti2FeO6 are known?
5 structures of Li2Ti2FeO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2Ti2FeO6 contain?
Li2Ti2FeO6 contains Fe, Li, O, and Ti (4 elements).
Where does the data for Li2Ti2FeO6 come from?
Li2Ti2FeO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse class of titanate anodes, Li2Ti2FeO6 occupies a niche position compared to more established members like Li2TiO3. While many titanates are characterized by their robust stability, this compound stands out as a metastable phase, offering distinct structural and electronic variations that differentiate it from the more conventional binary and ternary titanate frameworks such as 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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