BF2

BF2 is a metastable, wide-band-gap insulating compound composed of boron and fluorine that is frequently analyzed in theoretical structural studies.

BF
Crystal structure of BF2
Ground-state structure · Materials Project
Overview

About BF2

BF2 is a binary inorganic compound composed of boron and fluorine. It is characterized as a wide-band-gap insulator, placing it firmly within the category of dielectric materials that resist electrical conduction under standard conditions.

Due to its position above the thermodynamic hull, this compound is considered metastable. Despite its inherent instability, it remains a subject of significant interest in computational materials science, with numerous structural configurations documented across major research databases.

At a glance

Key Properties

Cross-validated computational properties for BF2, aggregated across 3 databases.

Band Gap

4.90 eV
Range across DFT structures

Energy Above Hull

0.121 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

40
3 databases, 14 space groups
Uses

Applications

Where BF2 is used.

Fundamental materials science researchComputational structural modelingTheoretical chemical bonding studies
Reference

Frequently Asked Questions

Common questions about BF2, answered from cross-validated data.

What is BF2?

BF2 is a metastable, wide-band-gap insulating compound composed of boron and fluorine that is frequently analyzed in theoretical structural studies.

More questions
What is BF2 used for?
BF2 is used in fundamental materials science research, computational structural modeling, and theoretical chemical bonding studies.
What is the band gap of BF2?
BF2 has a DFT-computed band gap of 4.90 eV across 40 reported structures.
Is BF2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.90 eV it is an insulator / wide-band-gap material.
Is BF2 thermodynamically stable?
BF2 has a lowest energy above hull of 0.121 eV/atom (above hull).
How many polymorphs of BF2 are known?
40 structures of BF2 are reported across 3 databases, spanning 14 distinct space groups.
What elements does BF2 contain?
BF2 contains B and F (2 elements).
Where does the data for BF2 come from?
BF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, BF2 serves as an important case study for understanding the structural diversity of boron-fluorine phases. While it lacks stable counterparts in its immediate class, its high structural variability provides researchers with a valuable model for investigating the limits of chemical bonding in metastable insulating materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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