FeB2

FeB2 is a stable, semiconducting iron boride compound that exhibits a diverse range of structural configurations.

BFe
Crystal structure of FeB2
Ground-state structure · Materials Project
Overview

About FeB2

FeB2 is a distinct iron boride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of iron and boron atoms that maintains integrity under standard conditions.

This material is of significant interest in materials science due to its structural complexity, as evidenced by a high volume of reported structural variations across major databases. Its stability and electronic profile make it a compelling subject for researchers investigating the fundamental properties of transition metal borides.

At a glance

Key Properties

Cross-validated computational properties for FeB2, aggregated across 4 databases.

Band Gap

0.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

136
4 databases, 24 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting FeB2.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where FeB2 is used.

Materials science researchFundamental solid-state physics studiesTransition metal boride development
Reference

Frequently Asked Questions

Common questions about FeB2, answered from cross-validated data.

What is FeB2?

FeB2 is a stable, semiconducting iron boride compound that exhibits a diverse range of structural configurations.

More questions
What is FeB2 used for?
FeB2 is used in materials science research, fundamental solid-state physics studies, and transition metal boride development.
What is the band gap of FeB2?
FeB2 has a DFT-computed band gap of 0.52 eV across 136 reported structures.
Is FeB2 a metal, semiconductor, or insulator?
With a band gap up to 0.52 eV it is a semiconductor.
Is FeB2 thermodynamically stable?
Yes — FeB2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of FeB2 are known?
136 structures of FeB2 are reported across 4 databases, spanning 24 distinct space groups.
How is FeB2 synthesized?
Literature-reported routes for FeB2 include solid state.
What elements does FeB2 contain?
FeB2 contains B and Fe (2 elements).
Where does the data for FeB2 come from?
FeB2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting boride, FeB2 serves as a foundational reference point for understanding the phase space of iron-boron systems. It stands as a well-defined structural candidate within the broader family of transition metal borides, providing a stable baseline for comparative studies of electronic and mechanical behavior in similar binary compounds.

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

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