BeF4

BeF4 is an unstable, semimetallic beryllium fluoride compound characterized by a high degree of structural polymorphism.

BeF
Crystal structure of BeF4
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for BeF4, aggregated across 3 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.259 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

38
3 databases, 12 space groups
Uses

Applications

Where BeF4 is used.

Fundamental materials researchTheoretical electronic structure modeling
Reference

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.

More questions
What is BeF4 used for?
BeF4 is used in fundamental materials research and theoretical electronic structure modeling.
What is the band gap of BeF4?
BeF4 has a DFT-computed band gap of 0.03 eV across 38 reported structures.
Is BeF4 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is BeF4 thermodynamically stable?
BeF4 has a lowest energy above hull of 0.259 eV/atom (above hull).
How many polymorphs of BeF4 are known?
38 structures of BeF4 are reported across 3 databases, spanning 12 distinct space groups.
What elements does BeF4 contain?
BeF4 contains Be and F (2 elements).
Where does the data for BeF4 come from?
BeF4 data is cross-referenced from latticegraph.
Comparison

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
  • latticegraph — Lattice Graph Materials Intelligence Platform

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