Hg2ClO

Hg2ClO is a semiconducting mercury oxyhalide compound that is considered a promising candidate for laboratory synthesis.

ClHgO
Crystal structure of Hg2ClO
Ground-state structure · Materials Project
Overview

About Hg2ClO

Hg2ClO is a complex mercury-based inorganic compound that exhibits semiconducting electronic properties. Its structural configuration suggests a unique arrangement of mercury, chlorine, and oxygen atoms, positioning it as an intriguing subject for fundamental materials science exploration.

As a near-hull material, this compound is considered a viable candidate for experimental synthesis. Its existence across multiple databases highlights its significance in ongoing efforts to map the chemical space of mercury-containing oxyhalides.

At a glance

Key Properties

Cross-validated computational properties for Hg2ClO, aggregated across 3 databases.

Band Gap

1.59–2.06 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Hg2ClO is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Hg2ClO, answered from cross-validated data.

What is Hg2ClO?

Hg2ClO is a semiconducting mercury oxyhalide compound that is considered a promising candidate for laboratory synthesis.

More questions
What is Hg2ClO used for?
Hg2ClO is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Hg2ClO?
Hg2ClO has a DFT-computed band gap of 1.59–2.06 eV across 10 reported structures.
Is Hg2ClO a metal, semiconductor, or insulator?
With a band gap up to 2.06 eV it is a semiconductor.
Is Hg2ClO thermodynamically stable?
Hg2ClO has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
How many polymorphs of Hg2ClO are known?
10 structures of Hg2ClO are reported across 3 databases, spanning 2 distinct space groups.
What elements does Hg2ClO contain?
Hg2ClO contains Cl, Hg, and O (3 elements).
Where does the data for Hg2ClO come from?
Hg2ClO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, Hg2ClO represents a specialized entry in the mercury oxyhalide family. It serves as a distinct point of study for researchers investigating how oxygen and chlorine coordination influences the electronic behavior of mercury-based systems.

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

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