Fe3C

Cementite · Iron carbide

Cementite is a metastable iron carbide compound that acts as a key hardening phase in steel and iron alloys.

CFe
Crystal structure of Fe3C
Ground-state structure · Materials Project
Overview

About Cementite

Cementite is a metastable interstitial compound formed between iron and carbon. As a critical constituent in the iron-carbon system, it plays a vital role in determining the mechanical properties of various steels and cast irons, where its presence significantly influences hardness and wear resistance.

Characterized by its semiconducting electronic nature, this compound is a subject of extensive structural study due to its complex lattice arrangements. Its thermodynamic metastability makes it a fascinating material for researchers investigating phase transformations and the kinetics of alloy formation.

At a glance

Key Properties

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

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.056 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

69
4 databases, 16 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Fe3C.

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 Cementite is used.

Steel manufacturingMetallurgical hardeningWear-resistant alloy production
Reference

Frequently Asked Questions

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

What is Fe3C?

Cementite is a metastable iron carbide compound that acts as a key hardening phase in steel and iron alloys.

More questions
What is Fe3C used for?
Cementite (Fe3C) is used in steel manufacturing, metallurgical hardening, and wear-resistant alloy production.
What is the band gap of Fe3C?
Cementite (Fe3C) has a DFT-computed band gap of 0.16 eV across 69 reported structures.
Is Fe3C a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Fe3C thermodynamically stable?
Cementite (Fe3C) has a lowest energy above hull of 0.056 eV/atom (metastable).
How many polymorphs of Fe3C are known?
69 structures of Fe3C are reported across 4 databases, spanning 16 distinct space groups.
How is Fe3C synthesized?
Literature-reported routes for Fe3C include solid state (4 procedures documented).
What elements does Fe3C contain?
Cementite (Fe3C) contains C and Fe (2 elements).
Where does the data for Fe3C come from?
Fe3C data is cross-referenced from latticegraph.
Comparison

How It Compares

As a foundational phase in metallurgy, Fe3C serves as the primary hard, brittle component that defines the performance characteristics of carbon steels, standing as the essential reference point for understanding phase stability in iron-based alloys.

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

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