CaCl2

calcium chloride · calcium dichloride

Calcium chloride is a stable, moisture-absorbing salt frequently utilized for its ability to effectively remove water from industrial and laboratory environments.

CaCl
Crystal structure of CaCl2
Ground-state structure · Materials Project
Overview

About calcium chloride

Calcium chloride is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. Due to its high affinity for moisture, it is a staple material for desiccation and environmental control processes.

Beyond its role as a drying agent, this compound is extensively studied across numerous structural configurations. Its stability and predictable behavior make it a fundamental material in chemical processing and road maintenance applications.

At a glance

Key Properties

Cross-validated computational properties for calcium chloride, aggregated across 4 databases.

Band Gap

4.88–5.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

141
4 databases, 24 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaCl2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where calcium chloride is used.

Desiccant for moisture controlDe-icing agent for roadsDust control on unpaved surfacesConcrete acceleratorFood additive for firming
Reference

Frequently Asked Questions

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

What is CaCl2?

Calcium chloride is a stable, moisture-absorbing salt frequently utilized for its ability to effectively remove water from industrial and laboratory environments.

More questions
What is CaCl2 used for?
calcium chloride (CaCl2) is used in desiccant for moisture control, de-icing agent for roads, dust control on unpaved surfaces, concrete accelerator, and food additive for firming.
What is the band gap of CaCl2?
calcium chloride (CaCl2) has a DFT-computed band gap of 4.88–5.60 eV across 141 reported structures.
Is CaCl2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.60 eV it is an insulator / wide-band-gap material.
Is CaCl2 thermodynamically stable?
Yes — calcium chloride (CaCl2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaCl2 are known?
141 structures of CaCl2 are reported across 4 databases, spanning 24 distinct space groups.
How is CaCl2 synthesized?
Literature-reported routes for CaCl2 include sol gel, solid state (2 procedures documented).
What elements does CaCl2 contain?
calcium chloride (CaCl2) contains Ca and Cl (2 elements).
Where does the data for CaCl2 come from?
CaCl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a highly stable and well-documented halide, calcium chloride serves as a benchmark material for understanding ionic bonding and hygroscopic behavior in simple metal-halide systems.

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

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