Li2TiFe3O8

Li2TiFe3O8 is a metastable, semiconducting titanate compound utilized in advanced electrochemical research for battery anode applications.

Crystal structure of Li2TiFe3O8
Ground-state structure · Materials Project
Overview

About Li2TiFe3O8

Li2TiFe3O8 is a complex titanate anode material characterized by its semiconducting electronic nature. As a metastable compound, it represents a specialized structural configuration within the broader family of lithium-based titanates, offering distinct pathways for ion transport and electrochemical activity.

This material is primarily investigated for its potential in next-generation battery architectures. Its structural complexity and electronic properties make it a subject of significant interest for researchers aiming to optimize anode performance and stability in high-capacity energy storage systems.

At a glance

Key Properties

Cross-validated computational properties for Li2TiFe3O8, aggregated across 3 databases.

Band Gap

0.02–0.35 eV
Range across DFT structures

Energy Above Hull

0.041 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

22
3 databases, 5 space groups
Uses

Applications

Where Li2TiFe3O8 is used.

Battery anode researchElectrochemical energy storage developmentMaterials science studies
Reference

Frequently Asked Questions

Common questions about Li2TiFe3O8, answered from cross-validated data.

What is Li2TiFe3O8?

Li2TiFe3O8 is a metastable, semiconducting titanate compound utilized in advanced electrochemical research for battery anode applications.

More questions
What is Li2TiFe3O8 used for?
Li2TiFe3O8 is used in battery anode research, electrochemical energy storage development, and materials science studies.
What is the band gap of Li2TiFe3O8?
Li2TiFe3O8 has a DFT-computed band gap of 0.02–0.35 eV across 22 reported structures.
Is Li2TiFe3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.35 eV it is a semiconductor.
Is Li2TiFe3O8 thermodynamically stable?
Li2TiFe3O8 has a lowest energy above hull of 0.041 eV/atom (metastable).
How many polymorphs of Li2TiFe3O8 are known?
22 structures of Li2TiFe3O8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li2TiFe3O8 contain?
Li2TiFe3O8 contains Fe, Li, O, and Ti (4 elements).
Where does the data for Li2TiFe3O8 come from?
Li2TiFe3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse class of titanate anodes, Li2TiFe3O8 occupies a niche position alongside chemically related compounds like Li2TiCr3O8 and Li2TiV3O8. While many titanates in this group are studied for their robust cycling capabilities, this iron-containing variant provides a unique electronic environment that differentiates its electrochemical behavior from simpler structures such as Li2TiO3.

Explore

Related Compounds

Other Titanate Anodes in the database.

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

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