Ba4Be4F16
Ba4Be4F16 is a stable, insulating fluoride compound composed of barium, beryllium, and fluorine.
About Ba4Be4F16
Ba4Be4F16 is a complex fluoride compound that functions as a wide-band-gap insulator. Its electronic structure is characterized by a significant gap between the valence and conduction bands, which is typical for stable, non-conductive inorganic fluoride frameworks.
As a thermodynamically stable phase located on the convex hull, this material exhibits robust structural characteristics. It is frequently studied in the context of fundamental solid-state chemistry to understand the coordination environments of barium and beryllium within fluoride lattices.
Key Properties
Cross-validated computational properties for Ba4Be4F16, 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 Ba4Be4F16 is used.
Frequently Asked Questions
Common questions about Ba4Be4F16, answered from cross-validated data.
What is Ba4Be4F16?
Ba4Be4F16 is a stable, insulating fluoride compound composed of barium, beryllium, and fluorine.
What is Ba4Be4F16 used for?
What is the band gap of Ba4Be4F16?
Is Ba4Be4F16 a metal, semiconductor, or insulator?
Is Ba4Be4F16 thermodynamically stable?
How many polymorphs of Ba4Be4F16 are known?
What elements does Ba4Be4F16 contain?
Where does the data for Ba4Be4F16 come from?
How It Compares
As a unique fluoride phase, Ba4Be4F16 represents a stable structural arrangement within the broader landscape of barium-beryllium-fluoride systems. It serves as a key reference point for understanding how these elements organize into insulating, thermodynamically favored crystalline architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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