IK3S

IK3S is a semiconducting ternary compound consisting of iodine, potassium, and sulfur that is currently categorized as a potentially unstable phase.

IKS
Crystal structure of IK3S
Ground-state structure · Materials Project
Overview

About IK3S

IK3S is a ternary inorganic compound composed of iodine, potassium, and sulfur. As a semiconducting material, it represents a specialized chemical system that has been characterized across multiple structural databases, reflecting significant interest in its atomic arrangement.

Because it exists in a state above the thermodynamic hull, this compound is considered potentially unstable under standard conditions. Its study is primarily focused on understanding phase stability and the complex bonding interactions between alkali metals, chalcogens, and halogens.

At a glance

Key Properties

Cross-validated computational properties for IK3S, aggregated across 3 databases.

Band Gap

1.04–1.37 eV
Range across DFT structures

Energy Above Hull

0.148 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about IK3S, answered from cross-validated data.

What is IK3S?

IK3S is a semiconducting ternary compound consisting of iodine, potassium, and sulfur that is currently categorized as a potentially unstable phase.

More questions
What is the band gap of IK3S?
IK3S has a DFT-computed band gap of 1.04–1.37 eV across 6 reported structures.
Is IK3S a metal, semiconductor, or insulator?
With a band gap up to 1.37 eV it is a semiconductor.
Is IK3S thermodynamically stable?
IK3S has a lowest energy above hull of 0.148 eV/atom (above hull).
How many polymorphs of IK3S are known?
6 structures of IK3S are reported across 3 databases, spanning 1 distinct space group.
What elements does IK3S contain?
IK3S contains I, K, and S (3 elements).
Where does the data for IK3S come from?
IK3S data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, IK3S serves as a distinct subject of study within the broader landscape of complex inorganic semiconductors, where its specific stoichiometry offers insights into the synthetic challenges of forming stable iodine-potassium-sulfur frameworks.

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

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