Li4CrO5

Li4CrO5 is a semiconducting lithium oxide compound that is considered a promising candidate for experimental synthesis in energy storage research.

Crystal structure of Li4CrO5
Ground-state structure · Materials Project
Overview

About Li4CrO5

Li4CrO5 is a lithium-rich oxide that exhibits semiconducting electronic behavior. Its position near the thermodynamic hull suggests it is a viable target for experimental synthesis and structural characterization within the broader family of lithium-based materials.

This compound is of significant interest to researchers investigating novel cathode architectures and solid-state electrolytes. Its complex structural landscape, evidenced by multiple reported configurations, highlights its potential utility in high-performance electrochemical systems.

At a glance

Key Properties

Cross-validated computational properties for Li4CrO5, aggregated across 3 databases.

Band Gap

1.30–1.43 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

12
3 databases, 2 space groups
Uses

Applications

Where Li4CrO5 is used.

Battery cathode researchSolid-state electrolyte developmentElectrochemical energy storage materials
Reference

Frequently Asked Questions

Common questions about Li4CrO5, answered from cross-validated data.

What is Li4CrO5?

Li4CrO5 is a semiconducting lithium oxide compound that is considered a promising candidate for experimental synthesis in energy storage research.

More questions
What is Li4CrO5 used for?
Li4CrO5 is used in battery cathode research, solid-state electrolyte development, and electrochemical energy storage materials.
What is the band gap of Li4CrO5?
Li4CrO5 has a DFT-computed band gap of 1.30–1.43 eV across 12 reported structures.
Is Li4CrO5 a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is Li4CrO5 thermodynamically stable?
Li4CrO5 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of Li4CrO5 are known?
12 structures of Li4CrO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4CrO5 contain?
Li4CrO5 contains Cr, Li, and O (3 elements).
Where does the data for Li4CrO5 come from?
Li4CrO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely commercialized LiCoO2 or LiMn2O4, which are staple cathode materials, Li4CrO5 occupies a more specialized niche within the lithium oxide class. While Li2O serves as a fundamental binary oxide, Li4CrO5 represents a more complex ternary arrangement that offers unique structural pathways for ion mobility compared to simpler oxides like Li2TiO3.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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