Ba4F20Ni6
Ba4F20Ni6 is a complex, wide-gap insulating fluoride compound that exists in a metastable state.
About Ba4F20Ni6
Ba4F20Ni6 is a complex inorganic compound composed of barium, fluorine, and nickel. It exhibits a wide-band-gap insulating electronic character, which is characteristic of highly ionic fluoride frameworks that limit charge carrier mobility.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Its existence in multiple structural databases highlights its role as an intriguing subject for computational studies into complex metal-fluoride architectures.
Key Properties
Cross-validated computational properties for Ba4F20Ni6, 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 Ba4F20Ni6, answered from cross-validated data.
What is Ba4F20Ni6?
Ba4F20Ni6 is a complex, wide-gap insulating fluoride compound that exists in a metastable state.
What is the band gap of Ba4F20Ni6?
Is Ba4F20Ni6 a metal, semiconductor, or insulator?
Is Ba4F20Ni6 thermodynamically stable?
How many polymorphs of Ba4F20Ni6 are known?
What elements does Ba4F20Ni6 contain?
Where does the data for Ba4F20Ni6 come from?
How It Compares
As a unique entry within its chemical family, Ba4F20Ni6 serves as a specialized case study for understanding the structural constraints and stability limits of barium-nickel-fluoride systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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