C4Cs2I6N4

C4Cs2I6N4 is a wide-gap insulating inorganic compound that serves as a subject of study for structural stability and materials design.

CCsIN
Crystal structure of C4Cs2I6N4
Ground-state structure · Materials Project
Overview

About C4Cs2I6N4

C4Cs2I6N4 is a complex inorganic compound characterized by its wide-gap insulating electronic profile. Its structural arrangement reflects a unique combination of elements that positions it as a subject of interest for fundamental materials science research into insulating frameworks.

While the compound is currently identified as being above the thermodynamic hull, its existence across multiple structural databases highlights its significance in exploring synthetic pathways for unconventional materials. It serves as a valuable case study for understanding the stability limits of complex iodide-based architectures.

At a glance

Key Properties

Cross-validated computational properties for C4Cs2I6N4, aggregated across 3 databases.

Band Gap

3.25 eV
Range across DFT structures

Energy Above Hull

0.396 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where C4Cs2I6N4 is used.

Materials science researchFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about C4Cs2I6N4, answered from cross-validated data.

What is C4Cs2I6N4?

C4Cs2I6N4 is a wide-gap insulating inorganic compound that serves as a subject of study for structural stability and materials design.

More questions
What is C4Cs2I6N4 used for?
C4Cs2I6N4 is used in materials science research and fundamental electronic property studies.
What is the band gap of C4Cs2I6N4?
C4Cs2I6N4 has a DFT-computed band gap of 3.25 eV across 3 reported structures.
Is C4Cs2I6N4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.25 eV it is an insulator / wide-band-gap material.
Is C4Cs2I6N4 thermodynamically stable?
C4Cs2I6N4 has a lowest energy above hull of 0.396 eV/atom (above hull).
How many polymorphs of C4Cs2I6N4 are known?
3 structures of C4Cs2I6N4 are reported across 3 databases, spanning 1 distinct space group.
What elements does C4Cs2I6N4 contain?
C4Cs2I6N4 contains C, Cs, I, and N (4 elements).
Where does the data for C4Cs2I6N4 come from?
C4Cs2I6N4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in the current material landscape, this compound serves as a distinct reference point for exploring the structural diversity of iodide-based insulators, providing insights into the stability challenges inherent in such complex chemical systems.

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

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