Cl16Si4

Cl16Si4 is a thermodynamically stable, insulating silicon-chlorine compound used in the research of advanced silicon-based materials.

Crystal structure of Cl16Si4
Ground-state structure · Materials Project
Overview

About Cl16Si4

Cl16Si4 is a distinct silicon-chlorine compound that sits on the thermodynamic convex hull, indicating high stability. As a wide-band-gap insulator, it represents a specialized chemical environment for silicon, contrasting with the metallic or semiconducting behavior typical of many other silicon-based materials.

This compound is of significant interest in the study of silicon anode materials, where its unique electronic structure provides a different pathway for ion transport and structural integrity. Its stability makes it a compelling subject for researchers investigating advanced electrode architectures and silicon-based chemical precursors.

At a glance

Key Properties

Cross-validated computational properties for Cl16Si4, aggregated across 3 databases.

Band Gap

5.57 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where Cl16Si4 is used.

Silicon anode material researchPrecursor chemistrySolid-state electronic material studies
Reference

Frequently Asked Questions

Common questions about Cl16Si4, answered from cross-validated data.

What is Cl16Si4?

Cl16Si4 is a thermodynamically stable, insulating silicon-chlorine compound used in the research of advanced silicon-based materials.

More questions
What is Cl16Si4 used for?
Cl16Si4 is used in silicon anode material research, precursor chemistry, and solid-state electronic material studies.
What is the band gap of Cl16Si4?
Cl16Si4 has a DFT-computed band gap of 5.57 eV across 4 reported structures.
Is Cl16Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.57 eV it is an insulator / wide-band-gap material.
Is Cl16Si4 thermodynamically stable?
Yes — Cl16Si4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cl16Si4 are known?
4 structures of Cl16Si4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl16Si4 contain?
Cl16Si4 contains Cl and Si (2 elements).
Where does the data for Cl16Si4 come from?
Cl16Si4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the silicon anode materials class.

Unlike metallic or semimetallic siblings such as FeSi, MoSi2, or elemental Si, Cl16Si4 functions as a wide-band-gap insulator. While materials like NaSi or Mg2Si are often studied for their reactive potential in battery systems, Cl16Si4 offers a more stable, insulating framework that differentiates it from the highly conductive or reactive silicides in the same class.

Explore

Related Compounds

Other Silicon Anode Materials in the database.

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

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