Al4Ca8F28
Al4Ca8F28 is a stable, insulating aluminum-calcium fluoride compound that is theoretically accessible for synthesis and material characterization.
About Al4Ca8F28
Al4Ca8F28 is a complex fluoride compound characterized by its wide-band-gap insulating electronic structure. As a material that sits near the thermodynamic hull, it represents a stable configuration that is considered likely to be synthesizable for experimental investigation. Its unique stoichiometry involving aluminum and calcium suggests potential utility in specialized optical or dielectric applications where insulating properties are paramount. The existence of multiple reported structures across databases highlights its significance as a subject of ongoing computational and structural analysis within inorganic chemistry. By providing a stable framework for structural study, this compound serves as an important reference point for understanding the behavior of complex metal-fluoride systems.
Key Properties
Cross-validated computational properties for Al4Ca8F28, 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 Al4Ca8F28 is used.
Frequently Asked Questions
Common questions about Al4Ca8F28, answered from cross-validated data.
What is Al4Ca8F28?
Al4Ca8F28 is a stable, insulating aluminum-calcium fluoride compound that is theoretically accessible for synthesis and material characterization.
What is Al4Ca8F28 used for?
What is the band gap of Al4Ca8F28?
Is Al4Ca8F28 a metal, semiconductor, or insulator?
Is Al4Ca8F28 thermodynamically stable?
How many polymorphs of Al4Ca8F28 are known?
What elements does Al4Ca8F28 contain?
Where does the data for Al4Ca8F28 come from?
How It Compares
As a unique complex fluoride, Al4Ca8F28 occupies a specialized niche in materials science. Without direct structural analogs in its immediate class, it serves as a distinct example of how aluminum and calcium can coordinate with fluorine to form stable, insulating architectures that warrant further exploration for potential high-performance applications.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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