Cu16S12Si2

Cu16S12Si2 is a metastable semiconducting compound formed from copper, sulfur, and silicon.

CuSSi
Crystal structure of Cu16S12Si2
Ground-state structure · Materials Project
Overview

About Cu16S12Si2

Cu16S12Si2 is a complex ternary compound composed of copper, sulfur, and silicon. As a semiconducting material, it exhibits electronic properties that are of significant interest for fundamental research into multi-element chalcogenide systems.

This material is characterized as metastable, indicating that its formation and persistence depend on specific synthetic conditions. Its existence across multiple reported structures highlights the structural diversity inherent in this specific elemental combination.

At a glance

Key Properties

Cross-validated computational properties for Cu16S12Si2, aggregated across 3 databases.

Band Gap

0.83 eV
Range across DFT structures

Energy Above Hull

0.032 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

7
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Cu16S12Si2, answered from cross-validated data.

What is Cu16S12Si2?

Cu16S12Si2 is a metastable semiconducting compound formed from copper, sulfur, and silicon.

More questions
What is the band gap of Cu16S12Si2?
Cu16S12Si2 has a DFT-computed band gap of 0.83 eV across 7 reported structures.
Is Cu16S12Si2 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Cu16S12Si2 thermodynamically stable?
Cu16S12Si2 has a lowest energy above hull of 0.032 eV/atom (metastable).
How many polymorphs of Cu16S12Si2 are known?
7 structures of Cu16S12Si2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu16S12Si2 contain?
Cu16S12Si2 contains Cu, S, and Si (3 elements).
Where does the data for Cu16S12Si2 come from?
Cu16S12Si2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary system, Cu16S12Si2 occupies a distinct niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding how copper-sulfur frameworks can be modified by the inclusion of silicon to tune electronic behavior.

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

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