BeCl2

Beryllium chloride

Beryllium chloride is a stable, insulating inorganic compound known for its extensive structural diversity.

BeCl
Crystal structure of BeCl2
Ground-state structure · Materials Project
Overview

About Beryllium chloride

Beryllium chloride is a distinct inorganic compound characterized by its wide-gap insulating electronic profile. It maintains a robust thermodynamic stability, existing securely on the convex hull, which makes it a significant subject for structural analysis.

Due to its unique chemical nature, this compound is frequently studied for its structural diversity, with a vast number of reported configurations across major material databases. Its stability and electronic properties are foundational for understanding the behavior of beryllium-based halides in various chemical environments.

At a glance

Key Properties

Cross-validated computational properties for Beryllium chloride, aggregated across 4 databases.

Band Gap

0.10–6.64 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

124
4 databases, 29 space groups
Uses

Applications

Where Beryllium chloride is used.

Catalyst in organic synthesisSource of beryllium in chemical laboratoriesElectrolyte component in specialized electrochemical cells
Reference

Frequently Asked Questions

Common questions about Beryllium chloride, answered from cross-validated data.

What is BeCl2?

Beryllium chloride is a stable, insulating inorganic compound known for its extensive structural diversity.

More questions
What is BeCl2 used for?
Beryllium chloride (BeCl2) is used in catalyst in organic synthesis, source of beryllium in chemical laboratories, and electrolyte component in specialized electrochemical cells.
What is the band gap of BeCl2?
Beryllium chloride (BeCl2) has a DFT-computed band gap of 0.10–6.64 eV across 124 reported structures.
Is BeCl2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.64 eV it is an insulator / wide-band-gap material.
Is BeCl2 thermodynamically stable?
Yes — Beryllium chloride (BeCl2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BeCl2 are known?
124 structures of BeCl2 are reported across 4 databases, spanning 29 distinct space groups.
What elements does BeCl2 contain?
Beryllium chloride (BeCl2) contains Be and Cl (2 elements).
Where does the data for BeCl2 come from?
BeCl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, beryllium chloride serves as a primary reference for beryllium-based halides, demonstrating high structural complexity and thermodynamic reliability that defines the standard for this chemical grouping.

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

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