Cd1Ir1La2

Cd1Ir1La2 is a semimetallic ternary alloy containing cadmium, iridium, and lanthanum that is being studied for its potential catalytic properties.

Crystal structure of Cd1Ir1La2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cd1Ir1La2

Cd1Ir1La2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that distinguishes it from more traditional insulating or highly conductive catalyst materials. Its electronic profile suggests potential for unique charge transport phenomena in specialized catalytic environments.

As a material currently identified as residing above the thermodynamic hull, Cd1Ir1La2 represents a metastable phase within the vast landscape of ternary alloys. Its existence in structural databases highlights the ongoing research into synthesizing and stabilizing complex iridium-based systems for potential use in advanced chemical processing and energy conversion technologies.

At a glance

Key Properties

Cross-validated computational properties for Cd1Ir1La2, aggregated across 2 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

2.083 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 11 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd1Ir1La2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.032.0830-3.3920.69
F-43m (No. 216)
P4/mmm (No. 123)
P4/mmm (No. 123)
C2/m (No. 12)
P4/mmm (No. 123)
P4/mmm (No. 123)
Imm2 (No. 44)
Cmm2 (No. 35)
Fm-3m (No. 225)
P2/m (No. 10)
P4mm (No. 99)
Uses

Applications

Where Cd1Ir1La2 is used.

Catalytic researchIntermetallic materials developmentAdvanced alloy synthesis
Reference

Frequently Asked Questions

Common questions about Cd1Ir1La2, answered from cross-validated data.

What is Cd1Ir1La2?

Cd1Ir1La2 is a semimetallic ternary alloy containing cadmium, iridium, and lanthanum that is being studied for its potential catalytic properties.

More questions
What is Cd1Ir1La2 used for?
Cd1Ir1La2 is used in catalytic research, intermetallic materials development, and advanced alloy synthesis.
What is the band gap of Cd1Ir1La2?
Cd1Ir1La2 has a DFT-computed band gap of 0.03 eV across 26 reported structures.
Is Cd1Ir1La2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cd1Ir1La2 thermodynamically stable?
Cd1Ir1La2 has a lowest energy above hull of 2.083 eV/atom (above hull).
What is the crystal structure of Cd1Ir1La2?
The lowest-energy reported polymorph of Cd1Ir1La2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cd1Ir1La2?
The computed density of the ground-state structure of Cd1Ir1La2 is 0.69 g/cm³.
How many polymorphs of Cd1Ir1La2 are known?
26 structures of Cd1Ir1La2 are reported across 2 databases, spanning 11 distinct space groups.
What elements does Cd1Ir1La2 contain?
Cd1Ir1La2 contains Cd, Ir, and La (3 elements).
Where does the data for Cd1Ir1La2 come from?
Cd1Ir1La2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the group of platinum-group alloy catalysts, Cd1Ir1La2 is notable for its specific ternary composition compared to binary counterparts like LaRh or As2Ir. While many members of this class are investigated for their robust catalytic surfaces, the semimetallic nature and metastable state of this compound place it in a distinct category of experimental materials that require precise synthesis conditions compared to more thermodynamically stable siblings like GeRu.

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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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