Be4F16K8
Be4F16K8 is a thermodynamically stable, insulating fluoride compound composed of beryllium, potassium, and fluorine.
About Be4F16K8
Be4F16K8 is a complex fluoride compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the beryllium-potassium-fluoride family, it represents a structurally distinct phase that sits firmly on the convex hull, indicating robust chemical stability under standard conditions. Its wide-band-gap profile makes it an intriguing candidate for applications requiring dielectric properties or optical transparency in specialized environments. The material has been documented across multiple structural databases, reflecting significant interest in its crystalline arrangement and stability. Ongoing research into its structural variations aims to better understand how its specific atomic configuration influences its performance in potential technological applications.
Key Properties
Cross-validated computational properties for Be4F16K8, 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.
Reported Structures
Lowest-energy structures reported for Be4F16K8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 6.85 | 0.0000 | -5.269 | 2.71 |
| Pna21 (No. 33) | orthorhombic | 6.87 | 0.0013 | -5.268 | 2.52 |
| Pnma (No. 62) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 2.53 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.53 |
Applications
Where Be4F16K8 is used.
Frequently Asked Questions
Common questions about Be4F16K8, answered from cross-validated data.
What is Be4F16K8?
Be4F16K8 is a thermodynamically stable, insulating fluoride compound composed of beryllium, potassium, and fluorine.
What is Be4F16K8 used for?
What is the band gap of Be4F16K8?
Is Be4F16K8 a metal, semiconductor, or insulator?
Is Be4F16K8 thermodynamically stable?
What is the crystal structure of Be4F16K8?
What is the density of Be4F16K8?
How many polymorphs of Be4F16K8 are known?
What elements does Be4F16K8 contain?
Where does the data for Be4F16K8 come from?
How It Compares
As a unique fluoride compound, Be4F16K8 occupies a specialized niche within inorganic chemistry. Unlike more common binary fluorides, this complex quaternary structure demonstrates the structural diversity possible within beryllium-based systems. It serves as a benchmark for stability in its class, providing a stable reference point for researchers investigating the interplay between alkali metal cations and beryllium-fluoride frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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