Hf2Sb3

Hf2Sb3 is a semiconducting hafnium antimonide compound known for its structural complexity and metastable nature.

HfSb
Crystal structure of Hf2Sb3
Ground-state structure · Materials Project
Overview

About Hf2Sb3

Hf2Sb3 is a binary intermetallic compound composed of hafnium and antimony. It exhibits semiconducting electronic behavior, positioning it as an interesting subject for fundamental research into the electronic properties of transition metal pnictides. The material is characterized by a high degree of structural complexity, with numerous reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which presents unique challenges and opportunities for synthesis and materials discovery.

At a glance

Key Properties

Cross-validated computational properties for Hf2Sb3, aggregated across 3 databases.

Band Gap

0.19 eV
Range across DFT structures

Energy Above Hull

3.403 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

17
3 databases, 10 space groups
Uses

Applications

Where Hf2Sb3 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Hf2Sb3, answered from cross-validated data.

What is Hf2Sb3?

Hf2Sb3 is a semiconducting hafnium antimonide compound known for its structural complexity and metastable nature.

More questions
What is Hf2Sb3 used for?
Hf2Sb3 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Hf2Sb3?
Hf2Sb3 has a DFT-computed band gap of 0.19 eV across 17 reported structures.
Is Hf2Sb3 a metal, semiconductor, or insulator?
With a band gap up to 0.19 eV it is a semiconductor.
Is Hf2Sb3 thermodynamically stable?
Hf2Sb3 has a lowest energy above hull of 3.403 eV/atom (above hull).
How many polymorphs of Hf2Sb3 are known?
17 structures of Hf2Sb3 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Hf2Sb3 contain?
Hf2Sb3 contains Hf and Sb (2 elements).
Where does the data for Hf2Sb3 come from?
Hf2Sb3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified intermetallic, Hf2Sb3 represents a distinct point in the phase space of hafnium-antimony compounds. While many binary systems are dominated by highly stable, stoichiometric phases, this compound highlights the diversity of structural arrangements possible when balancing transition metal and pnictogen bonding preferences.

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

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