Cl16I8K8

Cl16I8K8 is a thermodynamically stable, semiconducting inorganic compound containing potassium, iodine, and chlorine.

ClIK
Crystal structure of Cl16I8K8 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Cl16I8K8

Cl16I8K8 is a complex inorganic compound composed of chlorine, iodine, and potassium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, which makes it an intriguing candidate for specialized electronic or optoelectronic research. The material is characterized by a well-documented structural profile, supported by multiple entries across major materials databases. This data richness provides a solid foundation for researchers looking to understand its lattice dynamics and potential for integration into functional systems.

At a glance

Key Properties

Cross-validated computational properties for Cl16I8K8, aggregated across 3 databases.

Band Gap

2.36 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cl16I8K8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.360.0000-2.9662.88
2.00
2.51
P21/c (No. 14)
Uses

Applications

Where Cl16I8K8 is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about Cl16I8K8, answered from cross-validated data.

What is Cl16I8K8?

Cl16I8K8 is a thermodynamically stable, semiconducting inorganic compound containing potassium, iodine, and chlorine.

More questions
What is Cl16I8K8 used for?
Cl16I8K8 is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of Cl16I8K8?
Cl16I8K8 has a DFT-computed band gap of 2.36 eV across 4 reported structures.
Is Cl16I8K8 a metal, semiconductor, or insulator?
With a band gap up to 2.36 eV it is a semiconductor.
Is Cl16I8K8 thermodynamically stable?
Yes — Cl16I8K8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl16I8K8?
The lowest-energy reported polymorph of Cl16I8K8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cl16I8K8?
The computed density of the ground-state structure of Cl16I8K8 is 2.88 g/cm³.
How many polymorphs of Cl16I8K8 are known?
4 structures of Cl16I8K8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl16I8K8 contain?
Cl16I8K8 contains Cl, I, and K (3 elements).
Where does the data for Cl16I8K8 come from?
Cl16I8K8 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique inorganic compound, Cl16I8K8 occupies a distinct niche in materials science. While it does not share a direct structural family with other common compounds in this database, its status as a stable semiconductor highlights its potential as a building block for future material design where specific electronic properties are required.

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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