BeF4
BeF4 is an unstable, semimetallic beryllium fluoride compound characterized by a high degree of structural polymorphism.
About BeF4
BeF4 is a binary compound composed of beryllium and fluorine that exhibits semimetallic electronic characteristics. Its structural configuration is notable for being highly diverse, as evidenced by the numerous reported arrangements found across various materials databases.
Due to its position above the thermodynamic hull, this compound is considered inherently unstable under standard conditions. Despite this, its unique electronic nature makes it a subject of interest for researchers investigating the limits of beryllium-based chemical systems.
Key Properties
Cross-validated computational properties for BeF4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BeF4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for BeF4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for BeF4, 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 | 0.03 | 0.2590 | -4.151 | 1.15 |
| P1 (No. 1) | triclinic | — | — | — | 2.36 |
| P1 (No. 1) | triclinic | — | — | — | 2.99 |
| P1 (No. 1) | triclinic | — | — | — | 4.02 |
| P1 (No. 1) | triclinic | — | — | — | 3.06 |
| P1 (No. 1) | triclinic | — | — | — | 3.29 |
| P1 (No. 1) | triclinic | — | — | — | 4.14 |
| P1 (No. 1) | triclinic | — | — | — | 2.82 |
| P1 (No. 1) | triclinic | — | — | — | 4.36 |
| P1 (No. 1) | triclinic | — | — | — | 2.61 |
| P-1 (No. 2) | triclinic | — | — | — | 3.70 |
| P-1 (No. 2) | triclinic | — | — | — | 3.94 |
Applications
Where BeF4 is used.
Frequently Asked Questions
Common questions about BeF4, answered from cross-validated data.
What is BeF4?
BeF4 is an unstable, semimetallic beryllium fluoride compound characterized by a high degree of structural polymorphism.
What is BeF4 used for?
What is the band gap of BeF4?
Is BeF4 a metal, semiconductor, or insulator?
Is BeF4 thermodynamically stable?
What is the crystal structure of BeF4?
What is the density of BeF4?
How many polymorphs of BeF4 are known?
What elements does BeF4 contain?
Where does the data for BeF4 come from?
How It Compares
As a unique binary system, BeF4 occupies a specialized niche in materials science, serving as a point of comparison for understanding the stability limits of simple metal-fluoride frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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