Cd1Y2Zn1

Cd1Y2Zn1 is a semimetallic intermetallic compound characterized by its complex structural arrangements and metastable nature.

CdYZn
Crystal structure of Cd1Y2Zn1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cd1Y2Zn1

Cd1Y2Zn1 is a complex intermetallic compound composed of cadmium, yttrium, and zinc. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators.

Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of significant interest for researchers studying phase stability and structural diversity. Its existence across multiple reported structures highlights the intricate bonding behaviors present in ternary transition metal systems.

At a glance

Key Properties

Cross-validated computational properties for Cd1Y2Zn1, aggregated across 2 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

2.445 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd1Y2Zn1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.032.4447-1.6950.42
P4/mmm (No. 123)
P4/mmm (No. 123)
P4/mmm (No. 123)
P4mm (No. 99)
P4/mmm (No. 123)
Imm2 (No. 44)
P2/m (No. 10)
Fm-3m (No. 225)
P4mm (No. 99)
Cm (No. 8)
P4mm (No. 99)
Uses

Applications

Where Cd1Y2Zn1 is used.

Fundamental materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cd1Y2Zn1, answered from cross-validated data.

What is Cd1Y2Zn1?

Cd1Y2Zn1 is a semimetallic intermetallic compound characterized by its complex structural arrangements and metastable nature.

More questions
What is Cd1Y2Zn1 used for?
Cd1Y2Zn1 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Cd1Y2Zn1?
Cd1Y2Zn1 has a DFT-computed band gap of 0.03 eV across 27 reported structures.
Is Cd1Y2Zn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cd1Y2Zn1 thermodynamically stable?
Cd1Y2Zn1 has a lowest energy above hull of 2.445 eV/atom (above hull).
What is the crystal structure of Cd1Y2Zn1?
The lowest-energy reported polymorph of Cd1Y2Zn1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cd1Y2Zn1?
The computed density of the ground-state structure of Cd1Y2Zn1 is 0.42 g/cm³.
How many polymorphs of Cd1Y2Zn1 are known?
27 structures of Cd1Y2Zn1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Cd1Y2Zn1 contain?
Cd1Y2Zn1 contains Cd, Y, and Zn (3 elements).
Where does the data for Cd1Y2Zn1 come from?
Cd1Y2Zn1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary intermetallic, Cd1Y2Zn1 serves as a distinct example of how combining rare-earth yttrium with transition metals like cadmium and zinc can yield complex electronic states. It represents a specialized case within the broader landscape of intermetallic compounds where structural metastability and semimetallic behavior are key features of interest.

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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