H8C3N2O

H8C3N2O is a metastable organic compound that functions as a wide-band-gap insulator.

CHNO
Crystal structure of H8C3N2O
Ground-state structure · Materials Project
Overview

About H8C3N2O

H8C3N2O is a complex organic molecule that exhibits wide-band-gap insulating behavior. Its structural diversity is highlighted by its presence in multiple reported configurations across various databases, reflecting its intricate molecular arrangement.

As a metastable species, this compound represents a unique chemical state that is of significant interest for fundamental research into organic structural stability. Its specific electronic profile makes it a subject of interest for understanding insulating organic frameworks.

At a glance

Key Properties

Cross-validated computational properties for H8C3N2O, aggregated across 4 databases.

Band Gap

1.96–4.79 eV
Range across DFT structures

Energy Above Hull

0.074 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
4 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about H8C3N2O, answered from cross-validated data.

What is H8C3N2O?

H8C3N2O is a metastable organic compound that functions as a wide-band-gap insulator.

More questions
What is the band gap of H8C3N2O?
H8C3N2O has a DFT-computed band gap of 1.96–4.79 eV across 9 reported structures.
Is H8C3N2O a metal, semiconductor, or insulator?
With a wide band gap up to 4.79 eV it is an insulator / wide-band-gap material.
Is H8C3N2O thermodynamically stable?
H8C3N2O has a lowest energy above hull of 0.074 eV/atom (metastable).
How many polymorphs of H8C3N2O are known?
9 structures of H8C3N2O are reported across 4 databases, spanning 3 distinct space groups.
What elements does H8C3N2O contain?
H8C3N2O contains C, H, N, and O (4 elements).
Where does the data for H8C3N2O come from?
H8C3N2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, H8C3N2O serves as a representative example of metastable organic materials that possess wide-gap insulating characteristics, providing a baseline for future studies into similar carbon-based molecular systems.

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

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