Ca3SiO5

tricalcium silicate · alite, C3S

Tricalcium silicate is a key insulating compound that acts as the primary active ingredient in Portland cement, responsible for the initial setting and strength development of concrete.

CaOSi
Crystal structure of Ca3SiO5
Ground-state structure · Materials Project
Overview

About tricalcium silicate

Tricalcium silicate is a complex calcium silicate that serves as a fundamental building block in modern construction materials. As a wide-gap insulating compound, it possesses the structural characteristics necessary for high-performance applications in the built environment. Its thermodynamic profile indicates that it is a stable phase, making it a reliable subject for materials research.

This compound is highly significant due to its central role in the hydration chemistry that allows cement to harden. Its structural complexity and the abundance of reported phases underscore its importance in both industrial manufacturing and fundamental materials science studies.

At a glance

Key Properties

Cross-validated computational properties for tricalcium silicate, aggregated across 4 databases.

Band Gap

2.91–3.99 eV
Range across DFT structures

Energy Above Hull

0.020 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

26
4 databases, 6 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Ca3SiO5.

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
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where tricalcium silicate is used.

Portland cement productionConstruction material formulationHydraulic binder research
Reference

Frequently Asked Questions

Common questions about tricalcium silicate, answered from cross-validated data.

What is Ca3SiO5?

Tricalcium silicate is a key insulating compound that acts as the primary active ingredient in Portland cement, responsible for the initial setting and strength development of concrete.

More questions
What is Ca3SiO5 used for?
tricalcium silicate (Ca3SiO5) is used in portland cement production, construction material formulation, and hydraulic binder research.
What is the band gap of Ca3SiO5?
tricalcium silicate (Ca3SiO5) has a DFT-computed band gap of 2.91–3.99 eV across 26 reported structures.
Is Ca3SiO5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.99 eV it is an insulator / wide-band-gap material.
Is Ca3SiO5 thermodynamically stable?
tricalcium silicate (Ca3SiO5) has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
How many polymorphs of Ca3SiO5 are known?
26 structures of Ca3SiO5 are reported across 4 databases, spanning 6 distinct space groups.
How is Ca3SiO5 synthesized?
Literature-reported routes for Ca3SiO5 include sol gel, solid state (10 procedures documented).
What elements does Ca3SiO5 contain?
tricalcium silicate (Ca3SiO5) contains Ca, O, and Si (3 elements).
Where does the data for Ca3SiO5 come from?
Ca3SiO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a primary constituent of Portland cement, this compound stands as a cornerstone of inorganic silicate chemistry. It represents a critical phase in the calcium-silicon-oxygen system, serving as the benchmark for reactivity and strength development in hydraulic binders.

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

Analyze Ca3SiO5 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →