Li3Cr5O8

Li3Cr5O8 is a metastable semiconducting lithium oxide being investigated for its potential role in electrochemical energy storage technologies.

Crystal structure of Li3Cr5O8
Ground-state structure · Materials Project
Overview

About Li3Cr5O8

Li3Cr5O8 is a complex lithium oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based ternary oxides, offering distinct pathways for ion mobility and electronic transport.

Its significance lies in its potential utility for specialized electrochemical applications where specific redox-active transition metal centers are required. The material is subject to ongoing research to better understand its structural stability and performance characteristics in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for Li3Cr5O8, aggregated across 3 databases.

Band Gap

0.57–0.74 eV
Range across DFT structures

Energy Above Hull

0.068 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 3 space groups
Uses

Applications

Where Li3Cr5O8 is used.

Electrochemical energy storage researchSolid-state battery material development
Reference

Frequently Asked Questions

Common questions about Li3Cr5O8, answered from cross-validated data.

What is Li3Cr5O8?

Li3Cr5O8 is a metastable semiconducting lithium oxide being investigated for its potential role in electrochemical energy storage technologies.

More questions
What is Li3Cr5O8 used for?
Li3Cr5O8 is used in electrochemical energy storage research and solid-state battery material development.
What is the band gap of Li3Cr5O8?
Li3Cr5O8 has a DFT-computed band gap of 0.57–0.74 eV across 7 reported structures.
Is Li3Cr5O8 a metal, semiconductor, or insulator?
With a band gap up to 0.74 eV it is a semiconductor.
Is Li3Cr5O8 thermodynamically stable?
Li3Cr5O8 has a lowest energy above hull of 0.068 eV/atom (metastable).
How many polymorphs of Li3Cr5O8 are known?
7 structures of Li3Cr5O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li3Cr5O8 contain?
Li3Cr5O8 contains Cr, Li, and O (3 elements).
Where does the data for Li3Cr5O8 come from?
Li3Cr5O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely commercialized cathode materials such as LiCoO2 or LiMn2O4, Li3Cr5O8 exists as a metastable phase. While siblings like Li2O serve as fundamental building blocks in lithium-ion chemistry, this compound occupies a more niche position, requiring careful synthesis to manage its structural evolution compared to the robust, well-characterized LiNiO2.

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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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