Cl2K2

Potassium chloride · KCl, Sylvite

Potassium chloride is a stable, insulating salt widely utilized as a source of potassium in industrial and medical applications.

ClK
Crystal structure of Cl2K2 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Potassium chloride

Potassium chloride is a fundamental inorganic salt that exists as a thermodynamically stable crystalline solid. Characterized by a wide electronic band gap, it functions as a robust electrical insulator under standard conditions.

Its structural reliability is evidenced by extensive documentation across multiple scientific databases, reflecting its status as a highly consistent material. It serves as a critical component in various industrial, agricultural, and biological applications due to its predictable chemical behavior.

At a glance

Key Properties

Cross-validated computational properties for Potassium chloride, aggregated across 5 databases.

Band Gap

4.80–5.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

61
5 databases, 11 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl2K2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic5.030.0000-8.2612.00
Pm-3m (No. 221)cubic4.800.0776-8.1832.19
No. 0unknown0.46
No. 0unknown0.50
No. 0unknown0.48
No. 0unknown0.49
No. 0unknown0.50
No. 0unknown0.52
No. 0unknown0.47
No. 0unknown0.51
No. 0unknown0.52
No. 0unknown0.50
Uses

Applications

Where Potassium chloride is used.

Fertilizer productionChemical feedstockMedical potassium supplementsWater softeningFood processing
Reference

Frequently Asked Questions

Common questions about Potassium chloride, answered from cross-validated data.

What is Cl2K2?

Potassium chloride is a stable, insulating salt widely utilized as a source of potassium in industrial and medical applications.

More questions
What is Cl2K2 used for?
Potassium chloride (Cl2K2) is used in fertilizer production, chemical feedstock, medical potassium supplements, water softening, and food processing.
What is the band gap of Cl2K2?
Potassium chloride (Cl2K2) has a DFT-computed band gap of 4.80–5.03 eV across 61 reported structures.
Is Cl2K2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.03 eV it is an insulator / wide-band-gap material.
Is Cl2K2 thermodynamically stable?
Yes — Potassium chloride (Cl2K2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl2K2?
The lowest-energy reported polymorph of Potassium chloride (Cl2K2) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Cl2K2?
The computed density of the ground-state structure of Potassium chloride (Cl2K2) is 2.00 g/cm³.
How many polymorphs of Cl2K2 are known?
61 structures of Cl2K2 are reported across 5 databases, spanning 11 distinct space groups.
What elements does Cl2K2 contain?
Potassium chloride (Cl2K2) contains Cl and K (2 elements).
Where does the data for Cl2K2 come from?
Cl2K2 data is cross-referenced from materials_project, cod, nomad, omat24.
Comparison

How It Compares

As a primary halide compound, potassium chloride serves as a benchmark for ionic stability and structural integrity within its class of alkali metal halides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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