Cd1Hg2Mg1

Cd1Hg2Mg1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.

CdHgMg
Crystal structure of Cd1Hg2Mg1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cd1Hg2Mg1

Cd1Hg2Mg1 is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its unique combination of cadmium, mercury, and magnesium elements places it within a specialized group of materials that are frequently investigated for their complex structural arrangements.

Despite its existence in reported databases, the compound is categorized as being above the thermodynamic hull, suggesting it is a metastable phase. This status makes it a compelling subject for researchers studying high-pressure synthesis or non-equilibrium processing techniques to stabilize such complex intermetallic structures.

At a glance

Key Properties

Cross-validated computational properties for Cd1Hg2Mg1, aggregated across 2 databases.

Band Gap

1.38 eV
Range across DFT structures

Energy Above Hull

0.691 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd1Hg2Mg1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic1.380.6910-0.2100.66
Imm2 (No. 44)
Fm-3m (No. 225)
P4/mmm (No. 123)
P2/m (No. 10)
R3m (No. 160)
Pmmm (No. 47)
C2/m (No. 12)
P2/m (No. 10)
I4/mmm (No. 139)
Cm (No. 8)
Cmm2 (No. 35)
Uses

Applications

Where Cd1Hg2Mg1 is used.

Materials science researchSolid-state structural analysis
Reference

Frequently Asked Questions

Common questions about Cd1Hg2Mg1, answered from cross-validated data.

What is Cd1Hg2Mg1?

Cd1Hg2Mg1 is a semiconducting ternary intermetallic compound that exists as a metastable phase.

More questions
What is Cd1Hg2Mg1 used for?
Cd1Hg2Mg1 is used in materials science research and solid-state structural analysis.
What is the band gap of Cd1Hg2Mg1?
Cd1Hg2Mg1 has a DFT-computed band gap of 1.38 eV across 27 reported structures.
Is Cd1Hg2Mg1 a metal, semiconductor, or insulator?
With a band gap up to 1.38 eV it is a semiconductor.
Is Cd1Hg2Mg1 thermodynamically stable?
Cd1Hg2Mg1 has a lowest energy above hull of 0.691 eV/atom (above hull).
What is the crystal structure of Cd1Hg2Mg1?
The lowest-energy reported polymorph of Cd1Hg2Mg1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cd1Hg2Mg1?
The computed density of the ground-state structure of Cd1Hg2Mg1 is 0.66 g/cm³.
How many polymorphs of Cd1Hg2Mg1 are known?
27 structures of Cd1Hg2Mg1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cd1Hg2Mg1 contain?
Cd1Hg2Mg1 contains Cd, Hg, and Mg (3 elements).
Where does the data for Cd1Hg2Mg1 come from?
Cd1Hg2Mg1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a member of a niche class of ternary intermetallics, Cd1Hg2Mg1 serves as an important case study for understanding the structural diversity of mercury-containing alloys. It represents a specific point in the compositional space where semiconducting behavior emerges, distinguishing it from more common metallic or highly conductive phases found in similar alloy 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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