B2F3

B2F3 is an unstable, semiconducting binary compound of boron and fluorine characterized by a variety of known structural arrangements.

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Crystal structure of B2F3
Ground-state structure · Materials Project
Overview

About B2F3

B2F3 is a binary compound composed of boron and fluorine that exhibits semiconducting electronic properties. Its existence is marked by a diverse range of reported structural configurations, reflecting the complex bonding landscape inherent to boron-fluorine systems.

Due to its position above the thermodynamic hull, B2F3 is considered a metastable or unstable phase under standard conditions. This characteristic makes it a subject of interest for researchers investigating high-energy chemical environments and the fundamental limits of boron-based material stability.

At a glance

Key Properties

Cross-validated computational properties for B2F3, aggregated across 2 databases.

Band Gap

2.43 eV
Range across DFT structures

Energy Above Hull

0.168 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

13
2 databases, 6 space groups
Reference

Frequently Asked Questions

Common questions about B2F3, answered from cross-validated data.

What is B2F3?

B2F3 is an unstable, semiconducting binary compound of boron and fluorine characterized by a variety of known structural arrangements.

More questions
What is the band gap of B2F3?
B2F3 has a DFT-computed band gap of 2.43 eV across 13 reported structures.
Is B2F3 a metal, semiconductor, or insulator?
With a band gap up to 2.43 eV it is a semiconductor.
Is B2F3 thermodynamically stable?
B2F3 has a lowest energy above hull of 0.168 eV/atom (above hull).
How many polymorphs of B2F3 are known?
13 structures of B2F3 are reported across 2 databases, spanning 6 distinct space groups.
What elements does B2F3 contain?
B2F3 contains B and F (2 elements).
Where does the data for B2F3 come from?
B2F3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified and thermodynamically unstable phase, B2F3 represents a specialized area of study within boron-fluorine chemistry, serving as a case study for identifying metastable structures that do not readily persist in equilibrium.

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

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