Br2Hg2I2

Br2Hg2I2 is a semiconducting mercury halide compound that is considered a viable candidate for laboratory synthesis.

BrHgI
Crystal structure of Br2Hg2I2
Ground-state structure · Materials Project
Overview

About Br2Hg2I2

Br2Hg2I2 is a complex mercury-based halide compound that exhibits semiconducting electronic properties. Its structural framework, characterized by a combination of bromine and iodine ligands, positions it as a unique candidate for fundamental studies in solid-state chemistry.

As a material identified as being near the thermodynamic hull, it is considered a likely target for experimental synthesis. The existence of multiple reported structures across various databases underscores its significance as a subject of ongoing interest for researchers investigating mercury-halide coordination environments.

At a glance

Key Properties

Cross-validated computational properties for Br2Hg2I2, aggregated across 3 databases.

Band Gap

2.36 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Br2Hg2I2 is used.

Solid-state chemistry researchFundamental materials science studiesExploratory synthesis of mercury-halide frameworks
Reference

Frequently Asked Questions

Common questions about Br2Hg2I2, answered from cross-validated data.

What is Br2Hg2I2?

Br2Hg2I2 is a semiconducting mercury halide compound that is considered a viable candidate for laboratory synthesis.

More questions
What is Br2Hg2I2 used for?
Br2Hg2I2 is used in solid-state chemistry research, fundamental materials science studies, and exploratory synthesis of mercury-halide frameworks.
What is the band gap of Br2Hg2I2?
Br2Hg2I2 has a DFT-computed band gap of 2.36 eV across 5 reported structures.
Is Br2Hg2I2 a metal, semiconductor, or insulator?
With a band gap up to 2.36 eV it is a semiconductor.
Is Br2Hg2I2 thermodynamically stable?
Br2Hg2I2 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of Br2Hg2I2 are known?
5 structures of Br2Hg2I2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Br2Hg2I2 contain?
Br2Hg2I2 contains Br, Hg, and I (3 elements).
Where does the data for Br2Hg2I2 come from?
Br2Hg2I2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized mercury-halide compound, Br2Hg2I2 represents a distinct point in the chemical space of ternary mercury halides. It serves as a valuable case study for understanding how the interplay between different halogen species influences the stability and electronic behavior of complex inorganic lattices.

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

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