Li4Ti5Fe3O16

Li4Ti5Fe3O16 is a metastable, semiconducting titanate compound utilized in the investigation of advanced anode materials for electrochemical energy storage.

Crystal structure of Li4Ti5Fe3O16
Ground-state structure · Materials Project
Overview

About Li4Ti5Fe3O16

Li4Ti5Fe3O16 is a complex titanate anode material characterized by its semiconducting electronic nature. As a metastable phase, it represents an intriguing subject for research into structural variations within lithium-based transition metal oxide systems, offering unique pathways for ion transport and electrochemical activity.

This compound is primarily studied for its potential utility in high-performance energy storage devices. Its specific composition, incorporating both titanium and iron, allows for a nuanced approach to managing charge-discharge cycles, making it a relevant candidate for researchers exploring next-generation battery architectures.

At a glance

Key Properties

Cross-validated computational properties for Li4Ti5Fe3O16, aggregated across 3 databases.

Band Gap

1.22 eV
Range across DFT structures

Energy Above Hull

0.035 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li4Ti5Fe3O16 is used.

Electrochemical energy storage researchLithium-ion battery anode development
Reference

Frequently Asked Questions

Common questions about Li4Ti5Fe3O16, answered from cross-validated data.

What is Li4Ti5Fe3O16?

Li4Ti5Fe3O16 is a metastable, semiconducting titanate compound utilized in the investigation of advanced anode materials for electrochemical energy storage.

More questions
What is Li4Ti5Fe3O16 used for?
Li4Ti5Fe3O16 is used in electrochemical energy storage research and lithium-ion battery anode development.
What is the band gap of Li4Ti5Fe3O16?
Li4Ti5Fe3O16 has a DFT-computed band gap of 1.22 eV across 5 reported structures.
Is Li4Ti5Fe3O16 a metal, semiconductor, or insulator?
With a band gap up to 1.22 eV it is a semiconductor.
Is Li4Ti5Fe3O16 thermodynamically stable?
Li4Ti5Fe3O16 has a lowest energy above hull of 0.035 eV/atom (metastable).
How many polymorphs of Li4Ti5Fe3O16 are known?
5 structures of Li4Ti5Fe3O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Ti5Fe3O16 contain?
Li4Ti5Fe3O16 contains Fe, Li, O, and Ti (4 elements).
Where does the data for Li4Ti5Fe3O16 come from?
Li4Ti5Fe3O16 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the diverse family of titanate anodes, Li4Ti5Fe3O16 occupies a distinct position compared to more conventional structures like Li2TiO3. While many titanates in this class are valued for their structural stability, this iron-substituted variant introduces additional complexity to the electronic landscape, distinguishing it from simpler binary or ternary titanates 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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