Cd4Mg2

Cd4Mg2 is a semiconducting intermetallic compound that is considered a viable candidate for synthesis due to its near-hull thermodynamic stability.

CdMg
Crystal structure of Cd4Mg2 (orthorhombic, Cmcm (No. 63))
Ground-state structure · Materials Project
Overview

About Cd4Mg2

Cd4Mg2 is a semiconducting intermetallic compound composed of cadmium and magnesium. Its electronic character suggests unique transport properties that distinguish it from simple metallic alloys, positioning it as a subject of interest for specialized electronic applications.

As a near-hull material, Cd4Mg2 is considered thermodynamically accessible and likely synthesizable under controlled conditions. The significant number of reported structural configurations across multiple databases underscores its complexity and the ongoing interest in its phase stability.

At a glance

Key Properties

Cross-validated computational properties for Cd4Mg2, aggregated across 4 databases.

Band Gap

0.97 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
3 DFT sources

Structures

38
4 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd4Mg2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmcm (No. 63)orthorhombic0.000.0075-1.2396.55
Cmcm (No. 63)orthorhombic0.000.0093-1.2376.52
C2/c (No. 15)monoclinic0.000.0327-1.2146.52
R32 (No. 155)trigonal0.000.0341-1.2136.49
Cmcm (No. 63)orthorhombic0.000.0346-1.2126.44
Cmcm (No. 63)orthorhombic0.000.0390-1.2086.59
C2/m (No. 12)monoclinic0.000.0470-1.2006.52
Amm2 (No. 38)orthorhombic0.970.0483-1.1986.47
P-62m (No. 189)hexagonal0.000.0526-1.1946.51
Cm (No. 8)monoclinic0.000.0558-1.1916.44
C2/m (No. 12)monoclinic0.000.0588-1.1886.48
C2/m (No. 12)monoclinic0.000.0593-1.1876.48
Uses

Applications

Where Cd4Mg2 is used.

Semiconductor researchIntermetallic phase studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Cd4Mg2, answered from cross-validated data.

What is Cd4Mg2?

Cd4Mg2 is a semiconducting intermetallic compound that is considered a viable candidate for synthesis due to its near-hull thermodynamic stability.

More questions
What is Cd4Mg2 used for?
Cd4Mg2 is used in semiconductor research, intermetallic phase studies, and materials science exploration.
What is the band gap of Cd4Mg2?
Cd4Mg2 has a DFT-computed band gap of 0.97 eV across 38 reported structures.
Is Cd4Mg2 a metal, semiconductor, or insulator?
With a band gap up to 0.97 eV it is a semiconductor.
Is Cd4Mg2 thermodynamically stable?
Cd4Mg2 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of Cd4Mg2?
The lowest-energy reported polymorph of Cd4Mg2 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of Cd4Mg2?
The computed density of the ground-state structure of Cd4Mg2 is 6.55 g/cm³.
How many polymorphs of Cd4Mg2 are known?
38 structures of Cd4Mg2 are reported across 4 databases, spanning 16 distinct space groups.
What elements does Cd4Mg2 contain?
Cd4Mg2 contains Cd and Mg (2 elements).
Where does the data for Cd4Mg2 come from?
Cd4Mg2 data is cross-referenced from materials_project, aflow, nomad.
Comparison

How It Compares

As a distinct intermetallic phase, Cd4Mg2 represents a specific structural arrangement within the cadmium-magnesium binary system. Unlike more common, highly stable metallic phases, its semiconducting nature highlights the diverse electronic landscape accessible through precise stoichiometry in this alloy family.

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).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).

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