CdCu3

CdCu3 is a metastable metallic intermetallic compound formed from cadmium and copper.

CdCu
Crystal structure of CdCu3 (cubic, Pm-3m (No. 221))
Ground-state structure · Materials Project
Overview

About CdCu3

CdCu3 is a metallic intermetallic compound composed of cadmium and copper. As a metastable phase, it represents a unique configuration of these elements that is of significant interest for fundamental studies in solid-state chemistry and phase stability.

Its metallic nature suggests high electrical and thermal conductivity, typical of copper-rich alloys. The compound is characterized by a diverse range of reported structures, highlighting its complex behavior under varying synthesis conditions and its potential for specialized metallurgical applications.

At a glance

Key Properties

Cross-validated computational properties for CdCu3, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.080 eV/atom
Best (lowest) across sources

Stability

Metastable
4 DFT sources

Structures

7
5 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CdCu3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm-3m (No. 221)cubic0.000.0801-13.0818.99
Cmmm (No. 65)
Pm-3m (No. 221)Cubic9.25
Pm-3m (No. 221)Cubic8.99
Pm-3m (No. 221)Cubic9.40
8.71
Pm-3m (No. 221)
Uses

Applications

Where CdCu3 is used.

Fundamental materials researchMetallurgical phase studyAlloy development
Reference

Frequently Asked Questions

Common questions about CdCu3, answered from cross-validated data.

What is CdCu3?

CdCu3 is a metastable metallic intermetallic compound formed from cadmium and copper.

More questions
What is CdCu3 used for?
CdCu3 is used in fundamental materials research, metallurgical phase study, and alloy development.
What is the band gap of CdCu3?
CdCu3 is computed to be metallic (no band gap) in the reported DFT structures.
Is CdCu3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CdCu3 thermodynamically stable?
CdCu3 has a lowest energy above hull of 0.080 eV/atom (metastable).
What is the crystal structure of CdCu3?
The lowest-energy reported polymorph of CdCu3 is cubic symmetry, space group Pm-3m (No. 221).
What is the density of CdCu3?
The computed density of the ground-state structure of CdCu3 is 8.99 g/cm³.
How many polymorphs of CdCu3 are known?
7 structures of CdCu3 are reported across 5 databases, spanning 2 distinct space groups.
What elements does CdCu3 contain?
CdCu3 contains Cd and Cu (2 elements).
Where does the data for CdCu3 come from?
CdCu3 data is cross-referenced from materials_project, nomad, mpaloe, omat24, jarvis.
Comparison

How It Compares

As a distinct intermetallic phase, CdCu3 occupies a specialized niche within copper-based alloy systems. While it lacks direct structural siblings in this context, its metastability distinguishes it from more common, highly stable copper-cadmium intermetallics, making it a subject of interest for researchers investigating non-equilibrium material states.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • mpaloe — Data from mpaloe.
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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