Cl20O14Si12

Cl20O14Si12 is a wide-gap insulating chlorosiloxane compound that is theoretically stable enough to be a target for laboratory synthesis.

ClOSi
Crystal structure of Cl20O14Si12 (monoclinic, P21/m (No. 11))
Ground-state structure · Materials Project
Overview

About Cl20O14Si12

Cl20O14Si12 is a complex chlorosiloxane-based compound that functions as a wide-gap insulator. Its unique structural arrangement of chlorine, oxygen, and silicon atoms positions it as a material of interest for specialized chemical synthesis and molecular engineering applications.

Because it resides near the thermodynamic hull, this compound is considered a viable candidate for experimental realization. Its electronic character as an insulator makes it a subject of study for researchers looking to understand the stability and reactivity of complex silicon-based molecular frameworks.

At a glance

Key Properties

Cross-validated computational properties for Cl20O14Si12, aggregated across 3 databases.

Band Gap

5.63 eV
Range across DFT structures

Energy Above Hull

0.019 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cl20O14Si12, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/m (No. 11)monoclinic5.630.0195-6.1461.79
1.66
P21/m (No. 11)
Uses

Applications

Where Cl20O14Si12 is used.

Chemical synthesis researchMolecular engineeringSilicon-based material development
Reference

Frequently Asked Questions

Common questions about Cl20O14Si12, answered from cross-validated data.

What is Cl20O14Si12?

Cl20O14Si12 is a wide-gap insulating chlorosiloxane compound that is theoretically stable enough to be a target for laboratory synthesis.

More questions
What is Cl20O14Si12 used for?
Cl20O14Si12 is used in chemical synthesis research, molecular engineering, and silicon-based material development.
What is the band gap of Cl20O14Si12?
Cl20O14Si12 has a DFT-computed band gap of 5.63 eV across 3 reported structures.
Is Cl20O14Si12 a metal, semiconductor, or insulator?
With a wide band gap up to 5.63 eV it is an insulator / wide-band-gap material.
Is Cl20O14Si12 thermodynamically stable?
Cl20O14Si12 has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
What is the crystal structure of Cl20O14Si12?
The lowest-energy reported polymorph of Cl20O14Si12 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Cl20O14Si12?
The computed density of the ground-state structure of Cl20O14Si12 is 1.79 g/cm³.
How many polymorphs of Cl20O14Si12 are known?
3 structures of Cl20O14Si12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl20O14Si12 contain?
Cl20O14Si12 contains Cl, O, and Si (3 elements).
Where does the data for Cl20O14Si12 come from?
Cl20O14Si12 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique chlorosiloxane derivative, this compound serves as a distinct example of silicon-oxygen-chlorine chemistry. It occupies a specialized niche within the broader landscape of insulating silicon compounds, representing a structural configuration that bridges the gap between simple molecular precursors and more complex inorganic networks.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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