Hf2Hg1Re1

Hf2Hg1Re1 is a complex, semimetallic ternary intermetallic compound containing hafnium, mercury, and rhenium.

HfHgRe
Crystal structure of Hf2Hg1Re1
Ground-state structure · Materials Project
Overview

About Hf2Hg1Re1

Hf2Hg1Re1 is a ternary intermetallic compound composed of hafnium, mercury, and rhenium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials which often display interesting transport phenomena due to the proximity of the valence and conduction bands.

As a material that sits above the thermodynamic hull, Hf2Hg1Re1 is considered metastable under standard conditions. Its existence in multiple reported structures suggests a complex energy landscape, making it a subject of interest for researchers studying phase stability and structural diversity in heavy-element intermetallics.

At a glance

Key Properties

Cross-validated computational properties for Hf2Hg1Re1, aggregated across 2 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

3.546 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Uses

Applications

Where Hf2Hg1Re1 is used.

Fundamental materials science researchSolid-state physics studiesExploratory synthesis of heavy-metal intermetallics
Reference

Frequently Asked Questions

Common questions about Hf2Hg1Re1, answered from cross-validated data.

What is Hf2Hg1Re1?

Hf2Hg1Re1 is a complex, semimetallic ternary intermetallic compound containing hafnium, mercury, and rhenium.

More questions
What is Hf2Hg1Re1 used for?
Hf2Hg1Re1 is used in fundamental materials science research, solid-state physics studies, and exploratory synthesis of heavy-metal intermetallics.
What is the band gap of Hf2Hg1Re1?
Hf2Hg1Re1 has a DFT-computed band gap of 0.09 eV across 27 reported structures.
Is Hf2Hg1Re1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Hf2Hg1Re1 thermodynamically stable?
Hf2Hg1Re1 has a lowest energy above hull of 3.546 eV/atom (above hull).
How many polymorphs of Hf2Hg1Re1 are known?
27 structures of Hf2Hg1Re1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Hf2Hg1Re1 contain?
Hf2Hg1Re1 contains Hf, Hg, and Re (3 elements).
Where does the data for Hf2Hg1Re1 come from?
Hf2Hg1Re1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Hf2Hg1Re1 serves as a distinct example of how combining transition metals with mercury can yield complex, semimetallic phases. Unlike more common, highly stable binary alloys, this compound occupies a metastable region of the phase space, highlighting the intricate bonding requirements of its constituent elements.

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

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