Li3Ni3OF7
Li3Ni3OF7 is a metastable, wide-gap insulating oxyfluoride belonging to the family of layered lithium transition-metal materials.
About Li3Ni3OF7
Li3Ni3OF7 belongs to the class of layered lithium transition-metal oxides, characterized by its insulating electronic nature and wide band gap. This complex oxyfluoride structure highlights the diversity of lithium-based materials, offering unique structural arrangements that distinguish it from standard oxide cathodes. Its metastable state suggests a delicate balance of chemical bonding, making it a subject of interest for fundamental materials research.
As an oxyfluoride, this compound is investigated for its potential to modify electrochemical performance through anion substitution. While many materials in this class are optimized for high-capacity battery applications, the inclusion of fluorine in the lattice provides a distinct chemical environment that influences ion mobility and structural stability during cycling.
Key Properties
Cross-validated computational properties for Li3Ni3OF7, 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 Li3Ni3OF7 is used.
Frequently Asked Questions
Common questions about Li3Ni3OF7, answered from cross-validated data.
What is Li3Ni3OF7?
Li3Ni3OF7 is a metastable, wide-gap insulating oxyfluoride belonging to the family of layered lithium transition-metal materials.
What is Li3Ni3OF7 used for?
What is the band gap of Li3Ni3OF7?
Is Li3Ni3OF7 a metal, semiconductor, or insulator?
Is Li3Ni3OF7 thermodynamically stable?
How many polymorphs of Li3Ni3OF7 are known?
What elements does Li3Ni3OF7 contain?
Where does the data for Li3Ni3OF7 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the widely utilized LiCoO2 or LiNiO2, which are typically stable layered oxides optimized for commercial battery cathodes, Li3Ni3OF7 is a metastable phase that incorporates fluorine into its anionic framework. This structural modification sets it apart from the more conventional binary and ternary oxides like LiMnO2 or LiMn2O4, positioning it as a specialized material for exploring how anion-mixing affects the electronic and structural landscape of lithium-ion conductors.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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