BeI2

beryllium iodide

Beryllium iodide is a stable, wide-gap insulating halide compound used primarily in specialized chemical synthesis and research.

BeI
Crystal structure of BeI2
Ground-state structure · Materials Project
Overview

About beryllium iodide

Beryllium iodide is a distinct halide compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the beryllium halide family, it occupies a specific position on the convex hull, indicating its robust structural integrity under standard conditions. Its unique chemical behavior is driven by the small, highly polarizing beryllium cation paired with large, polarizable iodide anions.

This compound is primarily studied for its fundamental role in coordination chemistry and as a precursor for specialized synthetic applications. Due to its sensitivity to moisture and specific electronic properties, it serves as a critical subject for researchers investigating the limits of beryllium-based inorganic frameworks and halide bonding interactions.

At a glance

Key Properties

Cross-validated computational properties for beryllium iodide, aggregated across 5 databases.

Band Gap

4.07–4.14 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
4 DFT sources

Structures

23
5 databases, 11 space groups
Uses

Applications

Where beryllium iodide is used.

Chemical synthesisInorganic researchPrecursor for beryllium-based materials
Reference

Frequently Asked Questions

Common questions about beryllium iodide, answered from cross-validated data.

What is BeI2?

Beryllium iodide is a stable, wide-gap insulating halide compound used primarily in specialized chemical synthesis and research.

More questions
What is BeI2 used for?
beryllium iodide (BeI2) is used in chemical synthesis, inorganic research, and precursor for beryllium-based materials.
What is the band gap of BeI2?
beryllium iodide (BeI2) has a DFT-computed band gap of 4.07–4.14 eV across 23 reported structures.
Is BeI2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.14 eV it is an insulator / wide-band-gap material.
Is BeI2 thermodynamically stable?
Yes — beryllium iodide (BeI2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BeI2 are known?
23 structures of BeI2 are reported across 5 databases, spanning 11 distinct space groups.
What elements does BeI2 contain?
beryllium iodide (BeI2) contains Be and I (2 elements).
Where does the data for BeI2 come from?
BeI2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the beryllium halide class, beryllium iodide represents a key benchmark for understanding how halide size influences the structural landscape of beryllium-based materials. It serves as a foundational reference point for the group, providing essential data on how these compounds maintain stability within their respective chemical environments.

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

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