Li8ZrO6

Li8ZrO6 is a thermodynamically stable, insulating lithium-rich oxide used in solid-state materials research.

Crystal structure of Li8ZrO6
Ground-state structure · Materials Project
Overview

About Li8ZrO6

Li8ZrO6 is a lithium-rich oxide characterized by its insulating electronic nature and high thermodynamic stability. As a member of the lithium oxide family, it resides on the convex hull, indicating a highly favorable structural state that makes it a subject of interest for fundamental materials research. Its composition allows for complex structural arrangements, with multiple reported configurations documented across material databases.

This compound is primarily utilized in studies concerning solid-state ionics and advanced ceramic materials. Its stability and insulating properties provide a unique platform for researchers investigating lithium transport and structural evolution in oxygen-rich environments, contributing to the broader understanding of lithium-based ceramic systems.

At a glance

Key Properties

Cross-validated computational properties for Li8ZrO6, aggregated across 3 databases.

Band Gap

4.02–4.80 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li8ZrO6.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li8ZrO6 is used.

Solid-state ionics researchCeramic materials developmentFundamental structural chemistry
Reference

Frequently Asked Questions

Common questions about Li8ZrO6, answered from cross-validated data.

What is Li8ZrO6?

Li8ZrO6 is a thermodynamically stable, insulating lithium-rich oxide used in solid-state materials research.

More questions
What is Li8ZrO6 used for?
Li8ZrO6 is used in solid-state ionics research, ceramic materials development, and fundamental structural chemistry.
What is the band gap of Li8ZrO6?
Li8ZrO6 has a DFT-computed band gap of 4.02–4.80 eV across 9 reported structures.
Is Li8ZrO6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.80 eV it is an insulator / wide-band-gap material.
Is Li8ZrO6 thermodynamically stable?
Yes — Li8ZrO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li8ZrO6 are known?
9 structures of Li8ZrO6 are reported across 3 databases, spanning 2 distinct space groups.
How is Li8ZrO6 synthesized?
Literature-reported routes for Li8ZrO6 include solid state (3 procedures documented).
What elements does Li8ZrO6 contain?
Li8ZrO6 contains Li, O, and Zr (3 elements).
Where does the data for Li8ZrO6 come from?
Li8ZrO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition-metal-based oxides in its class such as LiNiO2, LiMn2O4, or LiCoO2, which are widely utilized for their electrochemical redox activity in battery cathodes, Li8ZrO6 functions primarily as a stable, insulating ceramic. While Li2O serves as a fundamental building block in lithium oxide chemistry, Li8ZrO6 offers a more complex structural framework compared to simpler binary oxides, positioning it as a specialized material for structural studies rather than high-capacity energy storage.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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