BH8CN

BH8CN is a wide-band-gap insulating compound containing boron, carbon, hydrogen, and nitrogen that is characterized by its thermodynamic instability.

BCHN
Crystal structure of BH8CN
Ground-state structure · Materials Project
Overview

About BH8CN

BH8CN is a complex chemical species composed of boron, carbon, hydrogen, and nitrogen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that do not readily conduct electricity under standard conditions.

This compound is categorized as being above the thermodynamic hull, suggesting that it is likely unstable in typical environments. Due to its limited structural data, it remains a subject of interest for researchers studying the theoretical limits of boron-based molecular frameworks.

At a glance

Key Properties

Cross-validated computational properties for BH8CN, aggregated across 3 databases.

Band Gap

6.16 eV
Range across DFT structures

Energy Above Hull

0.131 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about BH8CN, answered from cross-validated data.

What is BH8CN?

BH8CN is a wide-band-gap insulating compound containing boron, carbon, hydrogen, and nitrogen that is characterized by its thermodynamic instability.

More questions
What is the band gap of BH8CN?
BH8CN has a DFT-computed band gap of 6.16 eV across 3 reported structures.
Is BH8CN a metal, semiconductor, or insulator?
With a wide band gap up to 6.16 eV it is an insulator / wide-band-gap material.
Is BH8CN thermodynamically stable?
BH8CN has a lowest energy above hull of 0.131 eV/atom (above hull).
How many polymorphs of BH8CN are known?
3 structures of BH8CN are reported across 3 databases, spanning 2 distinct space groups.
What elements does BH8CN contain?
BH8CN contains B, C, H, and N (4 elements).
Where does the data for BH8CN come from?
BH8CN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique chemical entity with no direct structural siblings in this specific dataset, BH8CN represents a specialized case of boron-carbon-nitrogen chemistry. Its status as a metastable or unstable phase distinguishes it from more common, highly stable inorganic insulators, marking it as a candidate for advanced computational exploration rather than immediate industrial synthesis.

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

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