PdN2

PdN2 is a metastable semiconducting palladium nitride compound that serves as a key subject for research into complex nitrogen-rich materials.

NPd
Crystal structure of PdN2
Ground-state structure · Materials Project
Overview

About PdN2

PdN2 is a metastable binary compound composed of palladium and nitrogen. As a semiconducting material, it represents a fascinating intersection of transition metal chemistry and nitrogen-rich frameworks, drawing significant interest for its structural complexity under varying conditions. Its existence as a metastable phase highlights the intricate bonding environments possible within metal-nitrogen systems. Because of its electronic nature, researchers study this compound to understand how nitrogen coordination influences the band structure of transition metal nitrides. It serves as a critical model for exploring the synthesis and stability of high-energy-density materials in the laboratory.

At a glance

Key Properties

Cross-validated computational properties for PdN2, aggregated across 3 databases.

Band Gap

0.60 eV
Range across DFT structures

Energy Above Hull

0.096 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

159
3 databases, 25 space groups
Uses

Applications

Where PdN2 is used.

High-pressure materials researchFundamental condensed matter physicsStudy of nitrogen-rich transition metal compounds
Reference

Frequently Asked Questions

Common questions about PdN2, answered from cross-validated data.

What is PdN2?

PdN2 is a metastable semiconducting palladium nitride compound that serves as a key subject for research into complex nitrogen-rich materials.

More questions
What is PdN2 used for?
PdN2 is used in high-pressure materials research, fundamental condensed matter physics, and study of nitrogen-rich transition metal compounds.
What is the band gap of PdN2?
PdN2 has a DFT-computed band gap of 0.60 eV across 159 reported structures.
Is PdN2 a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is PdN2 thermodynamically stable?
PdN2 has a lowest energy above hull of 0.096 eV/atom (metastable).
How many polymorphs of PdN2 are known?
159 structures of PdN2 are reported across 3 databases, spanning 25 distinct space groups.
What elements does PdN2 contain?
PdN2 contains N and Pd (2 elements).
Where does the data for PdN2 come from?
PdN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique member of the transition metal nitride family, PdN2 is notable for its extensive structural diversity, with a vast number of reported configurations across major databases. While many nitrides are studied for their hardness or catalytic potential, this compound is primarily significant for its role in fundamental studies of metastable phases and its distinct semiconducting behavior compared to more metallic or insulating counterparts.

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

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