HCNO

fulminic acid · hydrogen fulminate

Fulminic acid is a thermodynamically stable, insulating molecular compound composed of hydrogen, carbon, nitrogen, and oxygen.

CHNO
Crystal structure of HCNO
Ground-state structure · Materials Project
Overview

About fulminic acid

Fulminic acid is a distinct chemical species composed of hydrogen, carbon, nitrogen, and oxygen. It is characterized by its wide-gap insulating electronic nature and maintains thermodynamic stability, positioning it as a significant subject within structural chemistry studies.

Its structural diversity is highlighted by numerous reported configurations across multiple databases. This compound serves as a critical reference point for understanding the bonding arrangements and stability profiles of small, highly reactive organic-inorganic hybrid molecules.

At a glance

Key Properties

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

Band Gap

4.48–5.24 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
4 databases, 3 space groups
Uses

Applications

Where fulminic acid is used.

chemical synthesisstructural chemistry researchprecursor studies
Reference

Frequently Asked Questions

Common questions about fulminic acid, answered from cross-validated data.

What is HCNO?

Fulminic acid is a thermodynamically stable, insulating molecular compound composed of hydrogen, carbon, nitrogen, and oxygen.

More questions
What is HCNO used for?
fulminic acid (HCNO) is used in chemical synthesis, structural chemistry research, and precursor studies.
What is the band gap of HCNO?
fulminic acid (HCNO) has a DFT-computed band gap of 4.48–5.24 eV across 16 reported structures.
Is HCNO a metal, semiconductor, or insulator?
With a wide band gap up to 5.24 eV it is an insulator / wide-band-gap material.
Is HCNO thermodynamically stable?
Yes — fulminic acid (HCNO) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HCNO are known?
16 structures of HCNO are reported across 4 databases, spanning 3 distinct space groups.
What elements does HCNO contain?
fulminic acid (HCNO) contains C, H, N, and O (4 elements).
Where does the data for HCNO come from?
HCNO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique chemical entity, fulminic acid occupies a specialized niche in structural chemistry. It serves as a fundamental example of molecular stability and electronic insulation, providing a baseline for investigating the behavior of similar small-molecule isomers and their respective energy landscapes.

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

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