Li3Ti2CuO6

Li3Ti2CuO6 is a semiconducting quaternary titanate oxide studied for potential use as an anode material in electrochemical energy storage devices.

Crystal structure of Li3Ti2CuO6
Ground-state structure · Materials Project
Overview

About Li3Ti2CuO6

Li3Ti2CuO6 is a complex quaternary oxide categorized within the titanate anode family. As a semiconducting material, it exhibits electronic properties that are of interest for specialized electrochemical applications where charge transport dynamics are critical for performance.

While this compound is currently identified as being thermodynamically metastable relative to its decomposition products, it remains a subject of interest in materials research. Its structural diversity, supported by multiple reported configurations, highlights the complexity of lithium-titanium-copper oxide systems in high-energy density environments.

At a glance

Key Properties

Cross-validated computational properties for Li3Ti2CuO6, aggregated across 3 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

0.106 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li3Ti2CuO6 is used.

Electrochemical energy storageBattery anode research
Reference

Frequently Asked Questions

Common questions about Li3Ti2CuO6, answered from cross-validated data.

What is Li3Ti2CuO6?

Li3Ti2CuO6 is a semiconducting quaternary titanate oxide studied for potential use as an anode material in electrochemical energy storage devices.

More questions
What is Li3Ti2CuO6 used for?
Li3Ti2CuO6 is used in electrochemical energy storage and battery anode research.
What is the band gap of Li3Ti2CuO6?
Li3Ti2CuO6 has a DFT-computed band gap of 0.20 eV across 5 reported structures.
Is Li3Ti2CuO6 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Li3Ti2CuO6 thermodynamically stable?
Li3Ti2CuO6 has a lowest energy above hull of 0.106 eV/atom (above hull).
How many polymorphs of Li3Ti2CuO6 are known?
5 structures of Li3Ti2CuO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3Ti2CuO6 contain?
Li3Ti2CuO6 contains Cu, Li, O, and Ti (4 elements).
Where does the data for Li3Ti2CuO6 come from?
Li3Ti2CuO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the titanate anodes class.

Within the broader class of titanate anodes, Li3Ti2CuO6 occupies a niche position compared to more established compounds like Li2TiO3. While Li2TiO3 is widely recognized for its structural robustness and stability in battery architectures, Li3Ti2CuO6 introduces copper into the lattice, which alters the electronic environment and potential redox activity compared to the 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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