B4C4H20N8

B4C4H20N8 is a wide-band-gap insulating compound containing boron, carbon, hydrogen, and nitrogen that exists as a metastable phase.

BCHN
Crystal structure of B4C4H20N8
Ground-state structure · Materials Project
Overview

About B4C4H20N8

B4C4H20N8 is an insulating, wide-band-gap material composed of boron, carbon, hydrogen, and nitrogen. Its electronic structure suggests it acts as a dielectric, though its thermodynamic profile indicates it resides above the stability hull, marking it as a metastable species requiring specific synthesis conditions.

Due to its unique elemental composition, this compound serves as a subject of interest for fundamental materials research. Its limited structural data highlights the complexities involved in characterizing high-energy or metastable molecular frameworks within this chemical space.

At a glance

Key Properties

Cross-validated computational properties for B4C4H20N8, aggregated across 3 databases.

Band Gap

5.47 eV
Range across DFT structures

Energy Above Hull

0.197 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 B4C4H20N8, answered from cross-validated data.

What is B4C4H20N8?

B4C4H20N8 is a wide-band-gap insulating compound containing boron, carbon, hydrogen, and nitrogen that exists as a metastable phase.

More questions
What is the band gap of B4C4H20N8?
B4C4H20N8 has a DFT-computed band gap of 5.47 eV across 3 reported structures.
Is B4C4H20N8 a metal, semiconductor, or insulator?
With a wide band gap up to 5.47 eV it is an insulator / wide-band-gap material.
Is B4C4H20N8 thermodynamically stable?
B4C4H20N8 has a lowest energy above hull of 0.197 eV/atom (above hull).
How many polymorphs of B4C4H20N8 are known?
3 structures of B4C4H20N8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B4C4H20N8 contain?
B4C4H20N8 contains B, C, H, and N (4 elements).
Where does the data for B4C4H20N8 come from?
B4C4H20N8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this dataset, B4C4H20N8 represents a specialized niche in material science. Unlike more common, thermodynamically stable phases, this compound provides a unique case study for understanding the synthesis and structural behavior of metastable boron-nitrogen-carbon systems.

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

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