K2PdSe2

K2PdSe2 is a stable, semiconducting alloy containing potassium, palladium, and selenium that is studied for its unique electronic properties.

Crystal structure of K2PdSe2
Ground-state structure · Materials Project
Overview

About K2PdSe2

K2PdSe2 is a thermodynamically stable compound within the platinum-group alloy catalyst class. As a semiconducting material, it exhibits distinct electronic behavior that distinguishes it from more metallic alloy counterparts. Its presence on the convex hull indicates high structural integrity, making it a reliable subject for fundamental materials research.

This compound is characterized by its specific arrangement of potassium, palladium, and selenium atoms, which contribute to its semiconducting nature. It serves as a valuable model for understanding how platinum-group elements can be integrated into complex lattice structures to tune electronic properties for potential catalytic or sensing applications.

At a glance

Key Properties

Cross-validated computational properties for K2PdSe2, aggregated across 4 databases.

Band Gap

0.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

5
4 databases, 1 space group
Uses

Applications

Where K2PdSe2 is used.

Catalysis researchSemiconductor materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about K2PdSe2, answered from cross-validated data.

What is K2PdSe2?

K2PdSe2 is a stable, semiconducting alloy containing potassium, palladium, and selenium that is studied for its unique electronic properties.

More questions
What is K2PdSe2 used for?
K2PdSe2 is used in catalysis research, semiconductor materials development, and solid-state chemistry studies.
What is the band gap of K2PdSe2?
K2PdSe2 has a DFT-computed band gap of 0.85 eV across 5 reported structures.
Is K2PdSe2 a metal, semiconductor, or insulator?
With a band gap up to 0.85 eV it is a semiconductor.
Is K2PdSe2 thermodynamically stable?
Yes — K2PdSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of K2PdSe2 are known?
5 structures of K2PdSe2 are reported across 4 databases, spanning 1 distinct space group.
What elements does K2PdSe2 contain?
K2PdSe2 contains K, Pd, and Se (3 elements).
Where does the data for K2PdSe2 come from?
K2PdSe2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike metallic catalysts such as BaPd or LaRh, K2PdSe2 functions as a semiconductor, placing it in a unique niche within the platinum-group alloy family. While many members of this class, such as IrSe2 or GeRu, are primarily investigated for their metallic or superconducting traits, K2PdSe2 provides a distinct electronic profile that broadens the functional diversity of the group.

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Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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