Be4F16Pb4
Be4F16Pb4 is a stable, insulating inorganic compound composed of beryllium, fluorine, and lead.
About Be4F16Pb4
Be4F16Pb4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its composition, involving beryllium, fluorine, and lead, suggests a specialized structural framework that distinguishes it from simpler binary halides or oxides.
As a near-hull material, this compound is considered a promising candidate for experimental synthesis. Its existence across multiple crystallographic databases highlights its structural interest to researchers exploring multi-element fluoride systems.
Key Properties
Cross-validated computational properties for Be4F16Pb4, 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 Be4F16Pb4, 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 | 5.42 | 0.0169 | -5.617 | 5.64 |
| Pnma (No. 62) | orthorhombic | 5.20 | 0.0407 | -5.593 | 5.47 |
| — | — | — | — | — | 5.14 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Be4F16Pb4 is used.
Frequently Asked Questions
Common questions about Be4F16Pb4, answered from cross-validated data.
What is Be4F16Pb4?
Be4F16Pb4 is a stable, insulating inorganic compound composed of beryllium, fluorine, and lead.
What is Be4F16Pb4 used for?
What is the band gap of Be4F16Pb4?
Is Be4F16Pb4 a metal, semiconductor, or insulator?
Is Be4F16Pb4 thermodynamically stable?
What is the crystal structure of Be4F16Pb4?
What is the density of Be4F16Pb4?
How many polymorphs of Be4F16Pb4 are known?
What elements does Be4F16Pb4 contain?
Where does the data for Be4F16Pb4 come from?
How It Compares
As a distinct multi-element fluoride, Be4F16Pb4 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as an important reference point for understanding how beryllium and lead can be integrated into stable, insulating fluoride frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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