Li2MoO3

Li2MoO3 is a thermodynamically stable, semiconducting lithium oxide used in materials science research.

Crystal structure of Li2MoO3
Ground-state structure · Materials Project
Overview

About Li2MoO3

Li2MoO3 is a semiconducting lithium oxide that occupies a stable position on the thermodynamic convex hull. As a member of the diverse lithium oxide family, it represents a significant subject of structural study, with multiple documented configurations across various materials databases.

Its electronic character and structural stability make it a point of interest for researchers investigating ion mobility and electrochemical behavior. By providing a stable framework, this compound serves as a valuable reference point in the broader development of lithium-based materials for next-generation energy applications.

At a glance

Key Properties

Cross-validated computational properties for Li2MoO3, aggregated across 4 databases.

Band Gap

0.58–1.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

9
4 databases, 3 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2MoO3.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li2MoO3 is used.

Energy storage researchElectrochemical material developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li2MoO3, answered from cross-validated data.

What is Li2MoO3?

Li2MoO3 is a thermodynamically stable, semiconducting lithium oxide used in materials science research.

More questions
What is Li2MoO3 used for?
Li2MoO3 is used in energy storage research, electrochemical material development, and solid-state ionics.
What is the band gap of Li2MoO3?
Li2MoO3 has a DFT-computed band gap of 0.58–1.60 eV across 9 reported structures.
Is Li2MoO3 a metal, semiconductor, or insulator?
With a band gap up to 1.60 eV it is a semiconductor.
Is Li2MoO3 thermodynamically stable?
Yes — Li2MoO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2MoO3 are known?
9 structures of Li2MoO3 are reported across 4 databases, spanning 3 distinct space groups.
How is Li2MoO3 synthesized?
Literature-reported routes for Li2MoO3 include sol gel, solid state (4 procedures documented).
What elements does Li2MoO3 contain?
Li2MoO3 contains Li, Mo, and O (3 elements).
Where does the data for Li2MoO3 come from?
Li2MoO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Within the class of lithium oxides, Li2MoO3 distinguishes itself from common cathode materials like LiCoO2 or LiMn2O4 by its unique electronic structure and specific stoichiometry. While compounds like Li2TiO3 and Li2MnO3 share similar structural motifs, Li2MoO3 offers a distinct chemical environment that differentiates its performance and stability profile from the more widely commercialized 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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