PtNCl

PtNCl is a metastable, semiconducting compound composed of platinum, nitrogen, and chlorine.

ClNPt
Overview

About PtNCl

PtNCl is a complex inorganic compound containing platinum, nitrogen, and chlorine. It exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies into transition metal-based materials with non-metal ligands. Due to its position relative to the thermodynamic ground state, it is considered a metastable phase that requires specific synthesis conditions to stabilize. The existence of multiple reported structures across various databases highlights the structural complexity and synthetic challenges associated with this composition. It serves as a unique case study in the exploration of platinum coordination chemistry and the potential for creating novel semiconducting frameworks.

At a glance

Key Properties

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

Band Gap

0.39–0.94 eV
Range across DFT structures

Energy Above Hull

1.083 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

15
2 databases, 10 space groups
Uses

Applications

Where PtNCl is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is PtNCl?

PtNCl is a metastable, semiconducting compound composed of platinum, nitrogen, and chlorine.

More questions
What is PtNCl used for?
PtNCl is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of PtNCl?
PtNCl has a DFT-computed band gap of 0.39–0.94 eV across 15 reported structures.
Is PtNCl a metal, semiconductor, or insulator?
With a band gap up to 0.94 eV it is a semiconductor.
Is PtNCl thermodynamically stable?
PtNCl has a lowest energy above hull of 1.083 eV/atom (above hull).
How many polymorphs of PtNCl are known?
15 structures of PtNCl are reported across 2 databases, spanning 10 distinct space groups.
What elements does PtNCl contain?
PtNCl contains Cl, N, and Pt (3 elements).
Where does the data for PtNCl come from?
PtNCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique composition within its chemical space, PtNCl represents a specialized instance of platinum-based semiconductors. Unlike more common, thermodynamically stable binary or ternary compounds, this material occupies a metastable state, positioning it as a focus for advanced materials synthesis and structural characterization rather than bulk industrial application.

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

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