CaSO4

calcium sulfate · anhydrite

Calcium sulfate is a stable, insulating mineral compound widely utilized in construction materials and industrial manufacturing.

CaOS
Crystal structure of CaSO4
Ground-state structure · Materials Project
Overview

About calcium sulfate

Calcium sulfate is a thermodynamically stable inorganic compound that exists in a wide-gap insulating state. Its structural versatility is evidenced by the numerous distinct crystalline arrangements documented across major materials databases, reflecting its complex behavior under varying conditions. This compound serves as a fundamental material in industrial applications, valued for its chemical stability and abundance. Its ability to transition between hydrated and anhydrous forms makes it a critical component in building materials and chemical processing.

At a glance

Key Properties

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

Band Gap

5.68–5.97 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

20
4 databases, 7 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaSO4.

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

Applications

Where calcium sulfate is used.

Construction materialsPlaster productionDesiccant agentFood additiveSoil conditioning
Intellectual Property

Patent Landscape

2 patents reference CaSO4 or close compositional variants.

PatentTitleAssigneeGranted
11535911Method for reducing formation of CaSO4 and Fe2O3 containing deposits in a pressure oxidation autoclave and/or
4610861Process for metal recovery by solvent extraction from CaSO.sub.4 containing sulfate solutions
Reference

Frequently Asked Questions

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

What is CaSO4?

Calcium sulfate is a stable, insulating mineral compound widely utilized in construction materials and industrial manufacturing.

More questions
What is CaSO4 used for?
calcium sulfate (CaSO4) is used in construction materials, plaster production, desiccant agent, food additive, and soil conditioning.
What is the band gap of CaSO4?
calcium sulfate (CaSO4) has a DFT-computed band gap of 5.68–5.97 eV across 20 reported structures.
Is CaSO4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.97 eV it is an insulator / wide-band-gap material.
Is CaSO4 thermodynamically stable?
Yes — calcium sulfate (CaSO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaSO4 are known?
20 structures of CaSO4 are reported across 4 databases, spanning 7 distinct space groups.
How is CaSO4 synthesized?
Literature-reported routes for CaSO4 include sol gel, solid state (6 procedures documented).
What elements does CaSO4 contain?
calcium sulfate (CaSO4) contains Ca, O, and S (3 elements).
Where does the data for CaSO4 come from?
CaSO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a highly stable and well-documented material, calcium sulfate stands as a benchmark for inorganic sulfates, representing a standard for structural complexity and thermodynamic reliability within its chemical family.

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

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