Hf2Mg

Hf2Mg is a metallic intermetallic compound composed of hafnium and magnesium that exists in a metastable state.

HfMg
Crystal structure of Hf2Mg
Ground-state structure · Materials Project
Overview

About Hf2Mg

Hf2Mg is a metallic intermetallic phase formed from hafnium and magnesium. As a metallic system, it exhibits characteristic electron delocalization, reflecting the typical bonding behavior found in transition metal-alkaline earth alloys. Its structural complexity is evidenced by the numerous configurations documented across multiple materials databases. The compound is categorized as being above the thermodynamic hull, suggesting that it may be metastable under standard conditions. This positioning makes it a subject of interest for researchers investigating phase formation and the limits of structural stability in binary hafnium-magnesium systems.

At a glance

Key Properties

Cross-validated computational properties for Hf2Mg, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

1.356 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

67
4 databases, 13 space groups
Reference

Frequently Asked Questions

Common questions about Hf2Mg, answered from cross-validated data.

What is Hf2Mg?

Hf2Mg is a metallic intermetallic compound composed of hafnium and magnesium that exists in a metastable state.

More questions
What is the band gap of Hf2Mg?
Hf2Mg is computed to be metallic (no band gap) in the reported DFT structures.
Is Hf2Mg a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Hf2Mg thermodynamically stable?
Hf2Mg has a lowest energy above hull of 1.356 eV/atom (above hull).
How many polymorphs of Hf2Mg are known?
67 structures of Hf2Mg are reported across 4 databases, spanning 13 distinct space groups.
What elements does Hf2Mg contain?
Hf2Mg contains Hf and Mg (2 elements).
Where does the data for Hf2Mg come from?
Hf2Mg data is cross-referenced from latticegraph.
Comparison

How It Compares

As a binary intermetallic, Hf2Mg represents a specific point in the compositional space of hafnium-magnesium alloys. While it lacks direct structural siblings in this context, it serves as a critical case study for understanding how atomic packing and stoichiometry influence the thermodynamic landscape of refractory metal compounds.

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

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