C4Cl4Cu4H8N8

C4Cl4Cu4H8N8 is a thermodynamically stable semiconducting coordination compound composed of copper, carbon, nitrogen, hydrogen, and chlorine.

CClCuHN
Crystal structure of C4Cl4Cu4H8N8
Ground-state structure · Materials Project
Overview

About C4Cl4Cu4H8N8

C4Cl4Cu4H8N8 is a complex coordination compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of carbon, chlorine, copper, hydrogen, and nitrogen atoms.

This material is of interest to researchers investigating the electronic properties of metal-organic frameworks and related coordination architectures. Its stability suggests potential for integration into functional electronic systems where reliable structural integrity is required.

At a glance

Key Properties

Cross-validated computational properties for C4Cl4Cu4H8N8, aggregated across 3 databases.

Band Gap

2.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 3 space groups
Uses

Applications

Where C4Cl4Cu4H8N8 is used.

Semiconductor researchCoordination chemistry studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about C4Cl4Cu4H8N8, answered from cross-validated data.

What is C4Cl4Cu4H8N8?

C4Cl4Cu4H8N8 is a thermodynamically stable semiconducting coordination compound composed of copper, carbon, nitrogen, hydrogen, and chlorine.

More questions
What is C4Cl4Cu4H8N8 used for?
C4Cl4Cu4H8N8 is used in semiconductor research, coordination chemistry studies, and materials science exploration.
What is the band gap of C4Cl4Cu4H8N8?
C4Cl4Cu4H8N8 has a DFT-computed band gap of 2.27 eV across 4 reported structures.
Is C4Cl4Cu4H8N8 a metal, semiconductor, or insulator?
With a band gap up to 2.27 eV it is a semiconductor.
Is C4Cl4Cu4H8N8 thermodynamically stable?
Yes — C4Cl4Cu4H8N8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of C4Cl4Cu4H8N8 are known?
4 structures of C4Cl4Cu4H8N8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does C4Cl4Cu4H8N8 contain?
C4Cl4Cu4H8N8 contains C, Cl, Cu, H, and N (5 elements).
Where does the data for C4Cl4Cu4H8N8 come from?
C4Cl4Cu4H8N8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique coordination complex, this compound serves as a specialized example of copper-based molecular materials. Without direct structural siblings in this specific dataset, it stands as a distinct point of study for understanding how copper-nitrogen coordination environments influence semiconducting behavior.

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

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