Cd1Mg2Pd1

Cd1Mg2Pd1 is a metastable, semiconducting ternary alloy composed of cadmium, magnesium, and palladium used in advanced materials research.

Crystal structure of Cd1Mg2Pd1 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Cd1Mg2Pd1

Cd1Mg2Pd1 is a specialized semiconducting alloy within the platinum-group catalyst family. Its metastable nature makes it a subject of significant interest for researchers investigating phase stability and electronic structure tuning in complex intermetallic systems. By incorporating cadmium and magnesium into a palladium-based framework, this material offers a distinct electronic environment that deviates from traditional noble metal catalysts. It serves as a valuable case study for understanding how ternary alloying influences charge carrier behavior in metallic-like compounds. The material is primarily utilized in fundamental materials research, where its structural complexity and electronic properties are explored to develop more efficient catalytic pathways and advanced electronic components.

At a glance

Key Properties

Cross-validated computational properties for Cd1Mg2Pd1, aggregated across 2 databases.

Band Gap

0.37 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

28
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd1Mg2Pd1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.0259-2.7356.07
Immm (No. 71)orthorhombic0.371.4949-1.2660.40
Pm (No. 6)
P4mm (No. 99)
I4/mmm (No. 139)
P2/m (No. 10)
P4/mmm (No. 123)
P4/mmm (No. 123)
Pmmm (No. 47)
P4/mmm (No. 123)
P4/mmm (No. 123)
P4/mmm (No. 123)
Uses

Applications

Where Cd1Mg2Pd1 is used.

Fundamental materials researchCatalytic process developmentElectronic component design
Reference

Frequently Asked Questions

Common questions about Cd1Mg2Pd1, answered from cross-validated data.

What is Cd1Mg2Pd1?

Cd1Mg2Pd1 is a metastable, semiconducting ternary alloy composed of cadmium, magnesium, and palladium used in advanced materials research.

More questions
What is Cd1Mg2Pd1 used for?
Cd1Mg2Pd1 is used in fundamental materials research, catalytic process development, and electronic component design.
What is the band gap of Cd1Mg2Pd1?
Cd1Mg2Pd1 has a DFT-computed band gap of 0.37 eV across 28 reported structures.
Is Cd1Mg2Pd1 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Cd1Mg2Pd1 thermodynamically stable?
Cd1Mg2Pd1 has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of Cd1Mg2Pd1?
The lowest-energy reported polymorph of Cd1Mg2Pd1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Cd1Mg2Pd1?
The computed density of the ground-state structure of Cd1Mg2Pd1 is 6.07 g/cm³.
How many polymorphs of Cd1Mg2Pd1 are known?
28 structures of Cd1Mg2Pd1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Cd1Mg2Pd1 contain?
Cd1Mg2Pd1 contains Cd, Mg, and Pd (3 elements).
Where does the data for Cd1Mg2Pd1 come from?
Cd1Mg2Pd1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the broader class of platinum-group alloys, Cd1Mg2Pd1 occupies a niche position compared to more conventional binary systems like BaPd or GeRu. While many of its peers, such as IrSe2 or As2Pt, are characterized by distinct stoichiometric ratios and varying degrees of structural stability, Cd1Mg2Pd1 stands out due to its specific ternary composition and metastable character. This complexity allows it to bridge the gap between simple binary catalysts and more intricate multi-component systems, offering a unique electronic landscape that contrasts with the more established, stable phases found in the group.

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Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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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