PbF3

PbF3 is a thermodynamically stable semiconducting lead fluoride compound characterized by a diverse range of documented structural forms.

FPb
Crystal structure of PbF3
Ground-state structure · Materials Project
Overview

About PbF3

PbF3 is a semiconducting inorganic compound composed of lead and fluorine. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural foundation for further investigation. Its electronic character positions it as a subject of interest for researchers exploring specialized semiconductor applications. The compound is notable for its significant data richness, with numerous documented structural configurations across multiple databases, reflecting its prominence in computational materials science. This extensive cataloging allows for a deep understanding of its atomic arrangements and potential physical behaviors.

At a glance

Key Properties

Cross-validated computational properties for PbF3, aggregated across 3 databases.

Band Gap

1.91 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

111
3 databases, 22 space groups
Uses

Applications

Where PbF3 is used.

Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about PbF3, answered from cross-validated data.

What is PbF3?

PbF3 is a thermodynamically stable semiconducting lead fluoride compound characterized by a diverse range of documented structural forms.

More questions
What is PbF3 used for?
PbF3 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of PbF3?
PbF3 has a DFT-computed band gap of 1.91 eV across 111 reported structures.
Is PbF3 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is PbF3 thermodynamically stable?
Yes — PbF3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of PbF3 are known?
111 structures of PbF3 are reported across 3 databases, spanning 22 distinct space groups.
What elements does PbF3 contain?
PbF3 contains F and Pb (2 elements).
Where does the data for PbF3 come from?
PbF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its chemical class, PbF3 serves as a primary reference point for lead-fluoride systems. Its stability and semiconducting nature distinguish it as a foundational material, providing a baseline for evaluating the structural and electronic trends of related metal-fluoride compounds.

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

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