Ba3Bi2F12
Ba3Bi2F12 is a metastable, insulating fluoride compound containing barium and bismuth that is studied for its unique structural and electronic properties.
About Ba3Bi2F12
Ba3Bi2F12 is a complex fluoride compound composed of barium, bismuth, and fluorine. As a wide-band-gap insulator, it exhibits electronic characteristics typical of stable ionic materials, though it exists in a metastable state that requires specific synthesis conditions to maintain its structural integrity.
This material is primarily of interest for fundamental research into the coordination chemistry of bismuth-based fluorides. Its unique composition makes it a subject of investigation for specialized optical or dielectric applications where insulating properties are essential.
Key Properties
Cross-validated computational properties for Ba3Bi2F12, 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 Ba3Bi2F12 is used.
Frequently Asked Questions
Common questions about Ba3Bi2F12, answered from cross-validated data.
What is Ba3Bi2F12?
Ba3Bi2F12 is a metastable, insulating fluoride compound containing barium and bismuth that is studied for its unique structural and electronic properties.
What is Ba3Bi2F12 used for?
What is the band gap of Ba3Bi2F12?
Is Ba3Bi2F12 a metal, semiconductor, or insulator?
Is Ba3Bi2F12 thermodynamically stable?
How many polymorphs of Ba3Bi2F12 are known?
What elements does Ba3Bi2F12 contain?
Where does the data for Ba3Bi2F12 come from?
How It Compares
As a unique fluoride phase, Ba3Bi2F12 serves as an example of the structural diversity found in bismuth-rich inorganic systems. While it lacks direct structural siblings in this context, it represents a specialized niche in the broader landscape of complex halide materials, highlighting the delicate balance between stoichiometry and thermodynamic stability in multi-component fluoride lattices.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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