Ga1Hg1Mg2

Ga1Hg1Mg2 is a semimetallic ternary intermetallic compound composed of gallium, mercury, and magnesium that exhibits structural complexity.

GaHgMg
Crystal structure of Ga1Hg1Mg2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ga1Hg1Mg2

Ga1Hg1Mg2 is a ternary intermetallic compound composed of gallium, mercury, and magnesium. Its electronic structure exhibits near-zero-gap characteristics, placing it within the category of semimetallic materials that often demonstrate interesting transport properties.

Due to its position relative to the thermodynamic stability hull, this compound is considered metastable. The existence of numerous reported structural variants suggests a complex energy landscape that warrants further investigation into its synthesis and phase stability.

At a glance

Key Properties

Cross-validated computational properties for Ga1Hg1Mg2, aggregated across 2 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

1.252 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 17 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ga1Hg1Mg2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.071.2520-0.5660.54
F-43m (No. 216)
Pmmm (No. 47)
I4/mmm (No. 139)
Cmmm (No. 65)
C2/m (No. 12)
I4/mmm (No. 139)
P4/mmm (No. 123)
P4/mmm (No. 123)
I-4m2 (No. 119)
P4mm (No. 99)
P2/m (No. 10)
Reference

Frequently Asked Questions

Common questions about Ga1Hg1Mg2, answered from cross-validated data.

What is Ga1Hg1Mg2?

Ga1Hg1Mg2 is a semimetallic ternary intermetallic compound composed of gallium, mercury, and magnesium that exhibits structural complexity.

More questions
What is the band gap of Ga1Hg1Mg2?
Ga1Hg1Mg2 has a DFT-computed band gap of 0.07 eV across 26 reported structures.
Is Ga1Hg1Mg2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ga1Hg1Mg2 thermodynamically stable?
Ga1Hg1Mg2 has a lowest energy above hull of 1.252 eV/atom (above hull).
What is the crystal structure of Ga1Hg1Mg2?
The lowest-energy reported polymorph of Ga1Hg1Mg2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ga1Hg1Mg2?
The computed density of the ground-state structure of Ga1Hg1Mg2 is 0.54 g/cm³.
How many polymorphs of Ga1Hg1Mg2 are known?
26 structures of Ga1Hg1Mg2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ga1Hg1Mg2 contain?
Ga1Hg1Mg2 contains Ga, Hg, and Mg (3 elements).
Where does the data for Ga1Hg1Mg2 come from?
Ga1Hg1Mg2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a ternary intermetallic phase, Ga1Hg1Mg2 occupies a specialized niche in materials science. Without direct structural siblings to compare it against, it serves as a representative example of how combining post-transition metals with alkaline earth elements can yield diverse, albeit often metastable, atomic arrangements.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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