BaPPd

BaPPd is a thermodynamically stable, semiconducting ternary alloy containing barium, phosphorus, and palladium.

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

About BaPPd

BaPPd is a thermodynamically stable semiconducting compound within the platinum-group alloy catalyst class. Its position on the convex hull indicates a robust structural integrity that makes it a subject of interest for researchers investigating stable, non-metallic catalytic materials. The compound is characterized by a distinct electronic structure that bridges the gap between traditional metallic catalysts and insulating support materials.

This material is part of a growing body of research into complex ternary phosphides and palladium-based alloys. Its stability and semiconducting nature suggest potential utility in specialized chemical synthesis or electronic applications where precise control over charge carrier density is required. With multiple reported structures, it represents a versatile platform for studying structure-property relationships in advanced inorganic materials.

At a glance

Key Properties

Cross-validated computational properties for BaPPd, aggregated across 3 databases.

Band Gap

0.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 3 space groups
Uses

Applications

Where BaPPd is used.

Catalytic synthesisMaterials science researchElectronic component development
Reference

Frequently Asked Questions

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

What is BaPPd?

BaPPd is a thermodynamically stable, semiconducting ternary alloy containing barium, phosphorus, and palladium.

More questions
What is BaPPd used for?
BaPPd is used in catalytic synthesis, materials science research, and electronic component development.
What is the band gap of BaPPd?
BaPPd has a DFT-computed band gap of 0.30 eV across 6 reported structures.
Is BaPPd a metal, semiconductor, or insulator?
With a band gap up to 0.30 eV it is a semiconductor.
Is BaPPd thermodynamically stable?
Yes — BaPPd sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaPPd are known?
6 structures of BaPPd are reported across 3 databases, spanning 3 distinct space groups.
What elements does BaPPd contain?
BaPPd contains Ba, P, and Pd (3 elements).
Where does the data for BaPPd come from?
BaPPd data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloys, BaPPd occupies a unique niche due to its semiconducting electronic character, distinguishing it from more metallic siblings like BaPd or LaRh. While many members of this class, such as P3Ru or As2Pt, are primarily investigated for their metallic conductivity and catalytic activity, BaPPd offers a distinct electronic profile that may allow for more selective surface interactions in catalytic processes.

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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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