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

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.
Key Properties
Cross-validated computational properties for Li8ZrO6, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Synthesis Routes
Literature-extracted synthesis procedures targeting Li8ZrO6.
Applications
Where Li8ZrO6 is used.
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.
What is Li8ZrO6 used for?
What is the band gap of Li8ZrO6?
Is Li8ZrO6 a metal, semiconductor, or insulator?
Is Li8ZrO6 thermodynamically stable?
How many polymorphs of Li8ZrO6 are known?
How is Li8ZrO6 synthesized?
What elements does Li8ZrO6 contain?
Where does the data for Li8ZrO6 come from?
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.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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