As16Cl28Hg24Mo4

As16Cl28Hg24Mo4 is a complex, semiconducting inorganic compound containing arsenic, chlorine, mercury, and molybdenum that is considered a candidate for experimental synthesis.

AsClHgMo
Crystal structure of As16Cl28Hg24Mo4
Ground-state structure · Materials Project
Overview

About As16Cl28Hg24Mo4

As16Cl28Hg24Mo4 is a complex inorganic compound composed of arsenic, chlorine, mercury, and molybdenum. Its electronic structure characterizes it as a semiconductor, making it an intriguing candidate for specialized electronic or optoelectronic applications that require specific band structure tuning.

This material is classified as near-hull, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis. With multiple reported structures across databases, it represents a significant subject for structural chemistry studies aimed at understanding complex metal-halide-chalcogenide frameworks.

At a glance

Key Properties

Cross-validated computational properties for As16Cl28Hg24Mo4, aggregated across 3 databases.

Band Gap

0.11 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

3
3 databases, 1 space group
Uses

Applications

Where As16Cl28Hg24Mo4 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about As16Cl28Hg24Mo4, answered from cross-validated data.

What is As16Cl28Hg24Mo4?

As16Cl28Hg24Mo4 is a complex, semiconducting inorganic compound containing arsenic, chlorine, mercury, and molybdenum that is considered a candidate for experimental synthesis.

More questions
What is As16Cl28Hg24Mo4 used for?
As16Cl28Hg24Mo4 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of As16Cl28Hg24Mo4?
As16Cl28Hg24Mo4 has a DFT-computed band gap of 0.11 eV across 3 reported structures.
Is As16Cl28Hg24Mo4 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is As16Cl28Hg24Mo4 thermodynamically stable?
As16Cl28Hg24Mo4 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of As16Cl28Hg24Mo4 are known?
3 structures of As16Cl28Hg24Mo4 are reported across 3 databases, spanning 1 distinct space group.
What elements does As16Cl28Hg24Mo4 contain?
As16Cl28Hg24Mo4 contains As, Cl, Hg, and Mo (4 elements).
Where does the data for As16Cl28Hg24Mo4 come from?
As16Cl28Hg24Mo4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic framework, this compound occupies a specialized niche in materials science. Without direct structural siblings, it serves as a distinct example of how multi-element coordination can stabilize complex semiconducting architectures that deviate from standard binary or ternary systems.

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

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