Ga1Mg2Zn1

Ga1Mg2Zn1 is a semimetallic ternary compound composed of gallium, magnesium, and zinc that exhibits metastable thermodynamic characteristics.

GaMgZn
Crystal structure of Ga1Mg2Zn1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Ga1Mg2Zn1

Ga1Mg2Zn1 is a ternary metallic compound composed of gallium, magnesium, and zinc. Its electronic character is defined as a near-zero-gap semimetallic material, placing it at the intersection of metallic and semiconducting behavior.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. It is a data-rich subject of study, appearing across multiple structural configurations in materials databases.

At a glance

Key Properties

Cross-validated computational properties for Ga1Mg2Zn1, aggregated across 2 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

1.391 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 Ga1Mg2Zn1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.071.3910-0.6220.33
Imm2 (No. 44)
Cmm2 (No. 35)
P4/mmm (No. 123)
Pmm2 (No. 25)
P4/mmm (No. 123)
I4/mmm (No. 139)
P2/m (No. 10)
I-4m2 (No. 119)
Pmmm (No. 47)
Fm-3m (No. 225)
P4/mmm (No. 123)
Reference

Frequently Asked Questions

Common questions about Ga1Mg2Zn1, answered from cross-validated data.

What is Ga1Mg2Zn1?

Ga1Mg2Zn1 is a semimetallic ternary compound composed of gallium, magnesium, and zinc that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of Ga1Mg2Zn1?
Ga1Mg2Zn1 has a DFT-computed band gap of 0.07 eV across 26 reported structures.
Is Ga1Mg2Zn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ga1Mg2Zn1 thermodynamically stable?
Ga1Mg2Zn1 has a lowest energy above hull of 1.391 eV/atom (above hull).
What is the crystal structure of Ga1Mg2Zn1?
The lowest-energy reported polymorph of Ga1Mg2Zn1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Ga1Mg2Zn1?
The computed density of the ground-state structure of Ga1Mg2Zn1 is 0.33 g/cm³.
How many polymorphs of Ga1Mg2Zn1 are known?
26 structures of Ga1Mg2Zn1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ga1Mg2Zn1 contain?
Ga1Mg2Zn1 contains Ga, Mg, and Zn (3 elements).
Where does the data for Ga1Mg2Zn1 come from?
Ga1Mg2Zn1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary phase, Ga1Mg2Zn1 represents a complex intermetallic arrangement of its constituent elements. Without direct structural siblings in this specific class, it serves as a distinct case study for understanding the stability and electronic properties of gallium-magnesium-zinc systems.

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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