Li4TiFe3O8

Li4TiFe3O8 is a metastable semiconducting titanate oxide being investigated for its potential application as an anode material in electrochemical energy storage.

Crystal structure of Li4TiFe3O8
Ground-state structure · Materials Project
Overview

About Li4TiFe3O8

Li4TiFe3O8 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 within the lithium-titanium-iron-oxygen system, offering distinct pathways for ion transport and electrochemical activity.

This material is of significant interest in materials science due to its multi-component composition, which allows for tunable electrochemical properties. Its role as a potential anode candidate is supported by ongoing structural investigations, aiming to leverage its semiconducting behavior for improved performance in battery technologies.

At a glance

Key Properties

Cross-validated computational properties for Li4TiFe3O8, aggregated across 3 databases.

Band Gap

0.68–1.49 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 3 space groups
Uses

Applications

Where Li4TiFe3O8 is used.

Lithium-ion battery anodesElectrochemical energy storage research
Reference

Frequently Asked Questions

Common questions about Li4TiFe3O8, answered from cross-validated data.

What is Li4TiFe3O8?

Li4TiFe3O8 is a metastable semiconducting titanate oxide being investigated for its potential application as an anode material in electrochemical energy storage.

More questions
What is Li4TiFe3O8 used for?
Li4TiFe3O8 is used in lithium-ion battery anodes and electrochemical energy storage research.
What is the band gap of Li4TiFe3O8?
Li4TiFe3O8 has a DFT-computed band gap of 0.68–1.49 eV across 9 reported structures.
Is Li4TiFe3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.49 eV it is a semiconductor.
Is Li4TiFe3O8 thermodynamically stable?
Li4TiFe3O8 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of Li4TiFe3O8 are known?
9 structures of Li4TiFe3O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li4TiFe3O8 contain?
Li4TiFe3O8 contains Fe, Li, O, and Ti (4 elements).
Where does the data for Li4TiFe3O8 come from?
Li4TiFe3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse family of titanate anodes, Li4TiFe3O8 occupies a specialized niche compared to more common members like Li2TiO3. While many titanates are explored for their structural robustness, this iron-containing variant introduces complex transition metal interactions that differentiate it from simpler binary or ternary titanates like Li2Ti3O7, positioning it as a subject of interest for those studying high-entropy or multi-metal oxide electrode systems.

Explore

Related Compounds

Other Titanate Anodes in the database.

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

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