CaInPd2

CaInPd2 is a metastable, semimetallic ternary alloy composed of calcium, indium, and palladium that is primarily studied for its potential catalytic applications.

Crystal structure of CaInPd2
Ground-state structure · Materials Project
Overview

About CaInPd2

CaInPd2 is a complex ternary alloy belonging to the platinum-group catalyst family. Characterized by a near-zero-gap electronic structure, it functions as a semimetallic material that bridges the gap between traditional metallic catalysts and semiconducting materials. Its metastable nature makes it a subject of significant interest for researchers investigating non-equilibrium phase behavior in intermetallic compounds. The material is well-documented across multiple structural databases, reflecting its importance in fundamental solid-state chemistry studies. Its electronic configuration suggests potential utility in specialized catalytic processes where precise control over charge carrier density is required. By leveraging the unique coordination environments provided by the calcium, indium, and palladium atoms, this compound offers a distinct platform for exploring surface-mediated reactions.

At a glance

Key Properties

Cross-validated computational properties for CaInPd2, aggregated across 4 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

8
4 databases, 2 space groups
Uses

Applications

Where CaInPd2 is used.

Catalysis researchSolid-state chemistry studiesMaterials science development
Reference

Frequently Asked Questions

Common questions about CaInPd2, answered from cross-validated data.

What is CaInPd2?

CaInPd2 is a metastable, semimetallic ternary alloy composed of calcium, indium, and palladium that is primarily studied for its potential catalytic applications.

More questions
What is CaInPd2 used for?
CaInPd2 is used in catalysis research, solid-state chemistry studies, and materials science development.
What is the band gap of CaInPd2?
CaInPd2 has a DFT-computed band gap of 0.02 eV across 8 reported structures.
Is CaInPd2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is CaInPd2 thermodynamically stable?
CaInPd2 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of CaInPd2 are known?
8 structures of CaInPd2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does CaInPd2 contain?
CaInPd2 contains Ca, In, and Pd (3 elements).
Where does the data for CaInPd2 come from?
CaInPd2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the broader class of platinum-group alloy catalysts, CaInPd2 occupies a unique niche compared to more conventional binary systems like BaPd or GeRu. While many of its class members exhibit distinct metallic or semiconducting behaviors, the semimetallic character of this ternary compound provides a specialized electronic landscape that differentiates it from the more standard structural motifs found in materials such as P3Ru or As2Pt.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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