Ca8Cl8O12Si4

Ca8Cl8O12Si4 is a wide-gap insulating inorganic compound that is likely synthesizable due to its favorable thermodynamic stability.

CaClOSi
Crystal structure of Ca8Cl8O12Si4
Ground-state structure · Materials Project
Overview

About Ca8Cl8O12Si4

Ca8Cl8O12Si4 is a complex inorganic compound composed of calcium, chlorine, oxygen, and silicon. Its electronic structure is characterized as a wide-gap insulator, making it an interesting subject for studies involving dielectric or optical properties in insulating materials.

This material is recognized for its near-hull thermodynamic stability, suggesting that it is likely synthesizable under appropriate experimental conditions. With multiple reported structures across databases, it serves as a valuable entry for researchers exploring the structural diversity of complex silicates.

At a glance

Key Properties

Cross-validated computational properties for Ca8Cl8O12Si4, aggregated across 3 databases.

Band Gap

5.10 eV
Range across DFT structures

Energy Above Hull

0.017 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Ca8Cl8O12Si4 is used.

Materials science researchDielectric material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Ca8Cl8O12Si4, answered from cross-validated data.

What is Ca8Cl8O12Si4?

Ca8Cl8O12Si4 is a wide-gap insulating inorganic compound that is likely synthesizable due to its favorable thermodynamic stability.

More questions
What is Ca8Cl8O12Si4 used for?
Ca8Cl8O12Si4 is used in materials science research, dielectric material development, and solid-state chemistry studies.
What is the band gap of Ca8Cl8O12Si4?
Ca8Cl8O12Si4 has a DFT-computed band gap of 5.10 eV across 3 reported structures.
Is Ca8Cl8O12Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.10 eV it is an insulator / wide-band-gap material.
Is Ca8Cl8O12Si4 thermodynamically stable?
Ca8Cl8O12Si4 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
How many polymorphs of Ca8Cl8O12Si4 are known?
3 structures of Ca8Cl8O12Si4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca8Cl8O12Si4 contain?
Ca8Cl8O12Si4 contains Ca, Cl, O, and Si (4 elements).
Where does the data for Ca8Cl8O12Si4 come from?
Ca8Cl8O12Si4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic structure, Ca8Cl8O12Si4 occupies a specialized niche within its chemical family. While it shares elemental components with common silicate minerals, its specific stoichiometry and insulating nature distinguish it as a distinct phase that warrants further investigation for potential specialized applications.

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

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