Na3NiF6
Na3NiF6 is a thermodynamically stable, semiconducting fluoride compound containing sodium and nickel.
About Na3NiF6
Na3NiF6 is a complex fluoride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of sodium, nickel, and fluorine atoms.
This material is notable for its structural diversity, supported by multiple reported experimental and computational entries. Its stability makes it an intriguing subject for investigating transition metal fluoride chemistry and potential electronic applications.
Key Properties
Cross-validated computational properties for Na3NiF6, 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 Na3NiF6 is used.
Frequently Asked Questions
Common questions about Na3NiF6, answered from cross-validated data.
What is Na3NiF6?
Na3NiF6 is a thermodynamically stable, semiconducting fluoride compound containing sodium and nickel.
What is Na3NiF6 used for?
What is the band gap of Na3NiF6?
Is Na3NiF6 a metal, semiconductor, or insulator?
Is Na3NiF6 thermodynamically stable?
How many polymorphs of Na3NiF6 are known?
What elements does Na3NiF6 contain?
Where does the data for Na3NiF6 come from?
How It Compares
As a standalone entry in this context, Na3NiF6 serves as a key reference point for understanding the stability and electronic properties of ternary sodium-nickel fluorides. Its position on the convex hull highlights it as a favorable structural configuration compared to metastable alternatives in the fluoride family.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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