Li6NiOF6
Li6NiOF6 is a metastable, semiconducting oxyfluoride used in the study of advanced lithium-ion battery materials.
About Li6NiOF6
Li6NiOF6 is a complex oxyfluoride belonging to the class of layered lithium transition-metal oxides. As a semiconducting material, it represents a unique intersection of oxide and fluoride chemistry, offering distinct structural pathways for lithium-ion mobility within its crystalline framework.
Because it exists in a metastable state, this compound is of significant interest for fundamental studies in solid-state chemistry and materials design. Its structural flexibility and electronic character make it a compelling subject for researchers investigating novel cathode architectures and ion-conducting pathways.
Key Properties
Cross-validated computational properties for Li6NiOF6, 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 Li6NiOF6 is used.
Frequently Asked Questions
Common questions about Li6NiOF6, answered from cross-validated data.
What is Li6NiOF6?
Li6NiOF6 is a metastable, semiconducting oxyfluoride used in the study of advanced lithium-ion battery materials.
What is Li6NiOF6 used for?
What is the band gap of Li6NiOF6?
Is Li6NiOF6 a metal, semiconductor, or insulator?
Is Li6NiOF6 thermodynamically stable?
How many polymorphs of Li6NiOF6 are known?
What elements does Li6NiOF6 contain?
Where does the data for Li6NiOF6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li6NiOF6 is distinguished by its oxyfluoride composition, which sets it apart from more traditional oxide-only counterparts like LiNiO2 or LiCoO2. While those materials are widely utilized as stable, high-capacity cathode standards, Li6NiOF6 provides a more exotic structural environment that challenges conventional stoichiometry in lithium-based energy storage materials.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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