Li3TaO4

Li3TaO4 is a thermodynamically stable, wide-band-gap lithium oxide insulator used in materials science research.

Crystal structure of Li3TaO4
Ground-state structure · Materials Project
Overview

About Li3TaO4

Li3TaO4 is a thermodynamically stable lithium oxide that exhibits a wide-band-gap insulating electronic character. As a member of the lithium oxide family, it is defined by its robust structural integrity and is frequently studied for its potential in solid-state ionics and related electrochemical systems.

Because it sits on the convex hull, this compound is highly stable, making it a reliable subject for structural analysis. Its diverse structural landscape, evidenced by numerous reported configurations, highlights its importance in understanding lithium-based ceramic frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li3TaO4, aggregated across 4 databases.

Band Gap

1.58–4.58 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
4 databases, 4 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li3TaO4.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li3TaO4 is used.

Solid-state ionics researchCeramic materials developmentDielectric studies
Reference

Frequently Asked Questions

Common questions about Li3TaO4, answered from cross-validated data.

What is Li3TaO4?

Li3TaO4 is a thermodynamically stable, wide-band-gap lithium oxide insulator used in materials science research.

More questions
What is Li3TaO4 used for?
Li3TaO4 is used in solid-state ionics research, ceramic materials development, and dielectric studies.
What is the band gap of Li3TaO4?
Li3TaO4 has a DFT-computed band gap of 1.58–4.58 eV across 14 reported structures.
Is Li3TaO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.58 eV it is an insulator / wide-band-gap material.
Is Li3TaO4 thermodynamically stable?
Yes — Li3TaO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3TaO4 are known?
14 structures of Li3TaO4 are reported across 4 databases, spanning 4 distinct space groups.
How is Li3TaO4 synthesized?
Literature-reported routes for Li3TaO4 include solid state.
What elements does Li3TaO4 contain?
Li3TaO4 contains Li, O, and Ta (3 elements).
Where does the data for Li3TaO4 come from?
Li3TaO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition-metal-rich cathode materials in its class such as LiCoO2 or LiNiO2, which are prized for their redox activity and charge storage capabilities, Li3TaO4 functions primarily as a stable, insulating host material. It lacks the variable oxidation states found in LiMn2O4, positioning it instead as a structural component or dielectric candidate within the broader lithium oxide group.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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