P4N6O

P4N6O is a thermodynamically stable, wide-band-gap insulating compound composed of phosphorus, nitrogen, and oxygen.

NOP
Crystal structure of P4N6O
Ground-state structure · Materials Project
Overview

About P4N6O

P4N6O is a phosphorus-based oxynitride that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a wide-band-gap insulator makes it a subject of interest for researchers investigating stable dielectric materials and specialized inorganic frameworks. The compound is characterized by a notable structural diversity, with multiple reported configurations across crystallographic databases. This variety suggests a complex bonding environment that warrants further exploration for high-performance applications. Because of its stability, it serves as a robust candidate for fundamental studies into the interplay between phosphorus, nitrogen, and oxygen in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for P4N6O, aggregated across 3 databases.

Band Gap

4.18–4.36 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, 2 space groups
Uses

Applications

Where P4N6O is used.

Dielectric materials researchSolid-state chemistry studiesAdvanced ceramic precursor development
Reference

Frequently Asked Questions

Common questions about P4N6O, answered from cross-validated data.

What is P4N6O?

P4N6O is a thermodynamically stable, wide-band-gap insulating compound composed of phosphorus, nitrogen, and oxygen.

More questions
What is P4N6O used for?
P4N6O is used in dielectric materials research, solid-state chemistry studies, and advanced ceramic precursor development.
What is the band gap of P4N6O?
P4N6O has a DFT-computed band gap of 4.18–4.36 eV across 6 reported structures.
Is P4N6O a metal, semiconductor, or insulator?
With a wide band gap up to 4.36 eV it is an insulator / wide-band-gap material.
Is P4N6O thermodynamically stable?
Yes — P4N6O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of P4N6O are known?
6 structures of P4N6O are reported across 3 databases, spanning 2 distinct space groups.
What elements does P4N6O contain?
P4N6O contains N, O, and P (3 elements).
Where does the data for P4N6O come from?
P4N6O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, P4N6O represents a distinct structural arrangement within the broader field of phosphorus oxynitrides. While it lacks direct structural siblings in this specific dataset, its position on the convex hull highlights its significance as a stable, well-defined material that provides a benchmark for evaluating the properties of similar non-oxide ceramic systems.

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

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