Li4Zr3O8
Li4Zr3O8 is a metastable, insulating lithium zirconium oxide compound used primarily in materials research.
About Li4Zr3O8
Li4Zr3O8 is a complex lithium zirconium oxide that functions as a wide-gap insulator. Its electronic structure is characterized by a significant energy gap, making it a subject of interest for fundamental studies in solid-state chemistry and materials science.
As a metastable phase, this compound represents a unique configuration within the lithium oxide family. Its structural diversity is highlighted by its presence in multiple database entries, reflecting ongoing research into its specific coordination environments and potential utility in advanced ceramic applications.
Key Properties
Cross-validated computational properties for Li4Zr3O8, 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.
Applications
Where Li4Zr3O8 is used.
Frequently Asked Questions
Common questions about Li4Zr3O8, answered from cross-validated data.
What is Li4Zr3O8?
Li4Zr3O8 is a metastable, insulating lithium zirconium oxide compound used primarily in materials research.
What is Li4Zr3O8 used for?
What is the band gap of Li4Zr3O8?
Is Li4Zr3O8 a metal, semiconductor, or insulator?
Is Li4Zr3O8 thermodynamically stable?
How many polymorphs of Li4Zr3O8 are known?
What elements does Li4Zr3O8 contain?
Where does the data for Li4Zr3O8 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and commercially ubiquitous cathode materials such as LiCoO2 or LiMn2O4, Li4Zr3O8 exists in a metastable state. While members like Li2O serve as foundational lithium sources, Li4Zr3O8 offers a more complex structural framework that distinguishes it from the simpler binary or layered ternary oxides in this class.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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