BaNiF6
BaNiF6 is a stable, semiconducting inorganic fluoride compound containing barium and nickel.
About BaNiF6
BaNiF6 is a complex fluoride compound characterized by its semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that has garnered interest across multiple crystallographic databases.
Its unique composition of barium, nickel, and fluorine positions it as a specialized material for research into inorganic fluoride frameworks. The stability of this compound makes it a compelling subject for studies investigating the interplay between transition metal centers and halide coordination environments.
Key Properties
Cross-validated computational properties for BaNiF6, 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.
Frequently Asked Questions
Common questions about BaNiF6, answered from cross-validated data.
What is BaNiF6?
BaNiF6 is a stable, semiconducting inorganic fluoride compound containing barium and nickel.
What is the band gap of BaNiF6?
Is BaNiF6 a metal, semiconductor, or insulator?
Is BaNiF6 thermodynamically stable?
How many polymorphs of BaNiF6 are known?
What elements does BaNiF6 contain?
Where does the data for BaNiF6 come from?
How It Compares
As a distinct member of the fluoride-based inorganic material landscape, BaNiF6 stands out for its structural stability and well-defined semiconducting nature. While many complex fluorides are prone to instability, this compound maintains a favorable energetic position, serving as a reliable reference point for future exploration of nickel-containing halide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze BaNiF6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →