Li6CuO4

Li6CuO4 is a metastable semiconducting lithium oxide compound studied for its unique structural properties within the lithium-copper-oxygen system.

Crystal structure of Li6CuO4
Ground-state structure · Materials Project
Overview

About Li6CuO4

Li6CuO4 is a semiconducting lithium oxide that exists in a metastable state. As a member of the complex lithium-copper-oxygen system, it represents a unique structural arrangement that distinguishes it from more common, highly stable lithium oxides.

Its electronic character as a semiconductor makes it an intriguing subject for research into ion-conducting materials and potential battery electrode components. The material is characterized by its specific structural configuration, which has been documented across multiple databases.

At a glance

Key Properties

Cross-validated computational properties for Li6CuO4, aggregated across 3 databases.

Band Gap

0.22 eV
Range across DFT structures

Energy Above Hull

0.055 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li6CuO4 is used.

Battery researchSolid-state ionicsMaterials science experimentation
Reference

Frequently Asked Questions

Common questions about Li6CuO4, answered from cross-validated data.

What is Li6CuO4?

Li6CuO4 is a metastable semiconducting lithium oxide compound studied for its unique structural properties within the lithium-copper-oxygen system.

More questions
What is Li6CuO4 used for?
Li6CuO4 is used in battery research, solid-state ionics, and materials science experimentation.
What is the band gap of Li6CuO4?
Li6CuO4 has a DFT-computed band gap of 0.22 eV across 5 reported structures.
Is Li6CuO4 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is Li6CuO4 thermodynamically stable?
Li6CuO4 has a lowest energy above hull of 0.055 eV/atom (metastable).
How many polymorphs of Li6CuO4 are known?
5 structures of Li6CuO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li6CuO4 contain?
Li6CuO4 contains Cu, Li, and O (3 elements).
Where does the data for Li6CuO4 come from?
Li6CuO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which are cornerstones of commercial battery technology, Li6CuO4 is a metastable phase that requires careful synthesis and characterization. While siblings like Li2O serve as fundamental building blocks in the class, Li6CuO4 offers a more complex, specialized structural profile that differentiates it from the more robust, industrially mature lithium transition metal oxides.

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Related Compounds

Other Lithium Oxides in the database.

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

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