H3NO

H3NO is a metastable, insulating compound composed of hydrogen, nitrogen, and oxygen atoms.

HNO
Crystal structure of H3NO
Ground-state structure · Materials Project
Overview

About H3NO

H3NO is a hydrogen-nitrogen-oxygen compound characterized by its wide-band-gap insulating electronic nature. Due to its position above the thermodynamic hull, it is considered a metastable species that requires specific conditions for stabilization.

Despite its inherent instability, the compound is of significant interest to researchers studying high-energy density materials and complex molecular bonding. Its structural diversity is evidenced by multiple reported configurations across various crystallographic databases.

At a glance

Key Properties

Cross-validated computational properties for H3NO, aggregated across 4 databases.

Band Gap

0.29–3.78 eV
Range across DFT structures

Energy Above Hull

0.206 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

7
4 databases, 3 space groups
Uses

Applications

Where H3NO is used.

High-energy density material researchFundamental chemical bonding studies
Reference

Frequently Asked Questions

Common questions about H3NO, answered from cross-validated data.

What is H3NO?

H3NO is a metastable, insulating compound composed of hydrogen, nitrogen, and oxygen atoms.

More questions
What is H3NO used for?
H3NO is used in high-energy density material research and fundamental chemical bonding studies.
What is the band gap of H3NO?
H3NO has a DFT-computed band gap of 0.29–3.78 eV across 7 reported structures.
Is H3NO a metal, semiconductor, or insulator?
With a wide band gap up to 3.78 eV it is an insulator / wide-band-gap material.
Is H3NO thermodynamically stable?
H3NO has a lowest energy above hull of 0.206 eV/atom (above hull).
How many polymorphs of H3NO are known?
7 structures of H3NO are reported across 4 databases, spanning 3 distinct space groups.
What elements does H3NO contain?
H3NO contains H, N, and O (3 elements).
Where does the data for H3NO come from?
H3NO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique hydrogen-nitrogen-oxygen system, H3NO serves as a distinct case study within its chemical class, representing an intriguing example of a metastable insulating material that challenges conventional synthesis pathways.

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

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