Hf3Mg

Hf3Mg is a metastable, semimetallic intermetallic compound formed from hafnium and magnesium.

HfMg
Crystal structure of Hf3Mg
Ground-state structure · Materials Project
Overview

About Hf3Mg

Hf3Mg is a complex intermetallic compound composed of hafnium and magnesium. As a metastable material, it represents a unique structural configuration that highlights the diverse bonding environments possible within binary transition metal-magnesium systems.

Characterized as a near-zero-gap semimetal, this compound exhibits electronic properties that bridge the gap between metallic conductors and semiconductors. Its existence across multiple structural databases underscores its significance as a subject of fundamental research into phase stability and electronic behavior.

At a glance

Key Properties

Cross-validated computational properties for Hf3Mg, aggregated across 4 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

0.086 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

24
4 databases, 7 space groups
Reference

Frequently Asked Questions

Common questions about Hf3Mg, answered from cross-validated data.

What is Hf3Mg?

Hf3Mg is a metastable, semimetallic intermetallic compound formed from hafnium and magnesium.

More questions
What is the band gap of Hf3Mg?
Hf3Mg has a DFT-computed band gap of 0.05 eV across 24 reported structures.
Is Hf3Mg a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Hf3Mg thermodynamically stable?
Hf3Mg has a lowest energy above hull of 0.086 eV/atom (metastable).
How many polymorphs of Hf3Mg are known?
24 structures of Hf3Mg are reported across 4 databases, spanning 7 distinct space groups.
What elements does Hf3Mg contain?
Hf3Mg contains Hf and Mg (2 elements).
Where does the data for Hf3Mg come from?
Hf3Mg data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct intermetallic phase, Hf3Mg serves as a specialized case study for understanding how transition metals interact with magnesium to form metastable structures. Without direct structural siblings in this specific binary class, it stands as an isolated example of how hafnium-rich compositions can adopt complex arrangements that challenge standard thermodynamic predictions.

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

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