PH6NO2

PH6NO2 is a metastable, insulating compound containing phosphorus, nitrogen, oxygen, and hydrogen atoms.

HNOP
Crystal structure of PH6NO2
Ground-state structure · Materials Project
Overview

About PH6NO2

PH6NO2 is a complex, metastable compound composed of phosphorus, hydrogen, nitrogen, and oxygen. Its electronic character is defined by a wide-band-gap, classifying it as an insulator with distinct potential for specialized chemical applications.

Due to its metastable nature, this material is of significant interest for researchers investigating structural phase transitions and stability in multi-element systems. It represents a unique entry in chemical databases, offering a platform for studying unconventional bonding environments.

At a glance

Key Properties

Cross-validated computational properties for PH6NO2, aggregated across 3 databases.

Band Gap

5.07 eV
Range across DFT structures

Energy Above Hull

0.033 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about PH6NO2, answered from cross-validated data.

What is PH6NO2?

PH6NO2 is a metastable, insulating compound containing phosphorus, nitrogen, oxygen, and hydrogen atoms.

More questions
What is the band gap of PH6NO2?
PH6NO2 has a DFT-computed band gap of 5.07 eV across 5 reported structures.
Is PH6NO2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.07 eV it is an insulator / wide-band-gap material.
Is PH6NO2 thermodynamically stable?
PH6NO2 has a lowest energy above hull of 0.033 eV/atom (metastable).
How many polymorphs of PH6NO2 are known?
5 structures of PH6NO2 are reported across 3 databases, spanning 1 distinct space group.
What elements does PH6NO2 contain?
PH6NO2 contains H, N, O, and P (4 elements).
Where does the data for PH6NO2 come from?
PH6NO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique, unclassified material, PH6NO2 serves as an independent subject of study within the broader landscape of phosphorus-based compounds, providing a distinct structural profile that differentiates it from more common, highly stable inorganic oxides or nitrides.

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

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