Li4Mo3O8

Li4Mo3O8 is a metastable, semiconducting lithium molybdenum oxide used primarily in fundamental materials research for energy storage.

Crystal structure of Li4Mo3O8
Ground-state structure · Materials Project
Overview

About Li4Mo3O8

Li4Mo3O8 is a complex lithium oxide featuring molybdenum in a semiconducting electronic state. As a metastable phase, it represents a unique structural arrangement within the lithium-molybdenum-oxygen system, drawing interest for its distinct coordination environments and potential for ion mobility.

This material is primarily studied for its role in energy storage research, where its electronic properties and structural flexibility are key points of investigation. Its existence across multiple reported structures highlights the versatility of the lithium oxide class in forming diverse crystalline frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li4Mo3O8, aggregated across 3 databases.

Band Gap

1.59–1.82 eV
Range across DFT structures

Energy Above Hull

0.050 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 1 space group
Uses

Applications

Where Li4Mo3O8 is used.

Electrochemical energy storage researchSolid-state ionics studiesAdvanced materials synthesis
Reference

Frequently Asked Questions

Common questions about Li4Mo3O8, answered from cross-validated data.

What is Li4Mo3O8?

Li4Mo3O8 is a metastable, semiconducting lithium molybdenum oxide used primarily in fundamental materials research for energy storage.

More questions
What is Li4Mo3O8 used for?
Li4Mo3O8 is used in electrochemical energy storage research, solid-state ionics studies, and advanced materials synthesis.
What is the band gap of Li4Mo3O8?
Li4Mo3O8 has a DFT-computed band gap of 1.59–1.82 eV across 10 reported structures.
Is Li4Mo3O8 a metal, semiconductor, or insulator?
With a band gap up to 1.82 eV it is a semiconductor.
Is Li4Mo3O8 thermodynamically stable?
Li4Mo3O8 has a lowest energy above hull of 0.050 eV/atom (metastable).
How many polymorphs of Li4Mo3O8 are known?
10 structures of Li4Mo3O8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4Mo3O8 contain?
Li4Mo3O8 contains Li, Mo, and O (3 elements).
Where does the data for Li4Mo3O8 come from?
Li4Mo3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials LiCoO2, LiNiO2, and LiMn2O4, which are characterized by their robust stability and commercial prevalence in battery technology, Li4Mo3O8 is a metastable phase. It occupies a more specialized niche compared to the structural stability of Li2TiO3 or the well-known layered oxide systems, serving as a subject of fundamental study rather than a standard commercial electrolyte or electrode component.

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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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