B1C3H12N1

B1C3H12N1 is a metastable, insulating compound composed of boron, carbon, nitrogen, and hydrogen.

BCHN
Crystal structure of B1C3H12N1
Ground-state structure · Materials Project
Overview

About B1C3H12N1

B1C3H12N1 is an insulating material characterized by a wide electronic band gap. As a complex boron-carbon-nitrogen-hydrogen system, it represents a unique chemical arrangement that sits above the thermodynamic stability hull, suggesting it is a metastable species requiring specific synthesis conditions.

Because it exists in a state of relative instability, this compound is primarily of interest for fundamental structural studies and theoretical modeling. Its electronic properties make it a subject of investigation for those exploring the boundaries of insulating materials within the boron-nitrogen-carbon chemical space.

At a glance

Key Properties

Cross-validated computational properties for B1C3H12N1, aggregated across 3 databases.

Band Gap

5.65 eV
Range across DFT structures

Energy Above Hull

0.216 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where B1C3H12N1 is used.

Fundamental materials researchTheoretical electronic structure modeling
Reference

Frequently Asked Questions

Common questions about B1C3H12N1, answered from cross-validated data.

What is B1C3H12N1?

B1C3H12N1 is a metastable, insulating compound composed of boron, carbon, nitrogen, and hydrogen.

More questions
What is B1C3H12N1 used for?
B1C3H12N1 is used in fundamental materials research and theoretical electronic structure modeling.
What is the band gap of B1C3H12N1?
B1C3H12N1 has a DFT-computed band gap of 5.65 eV across 3 reported structures.
Is B1C3H12N1 a metal, semiconductor, or insulator?
With a wide band gap up to 5.65 eV it is an insulator / wide-band-gap material.
Is B1C3H12N1 thermodynamically stable?
B1C3H12N1 has a lowest energy above hull of 0.216 eV/atom (above hull).
How many polymorphs of B1C3H12N1 are known?
3 structures of B1C3H12N1 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B1C3H12N1 contain?
B1C3H12N1 contains B, C, H, and N (4 elements).
Where does the data for B1C3H12N1 come from?
B1C3H12N1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this specific chemical configuration, B1C3H12N1 serves as a distinct point of reference for researchers investigating metastable boron-based compounds. Without direct structural siblings, it stands as a unique case study in how complex light-element frameworks can be analyzed for potential electronic applications despite being energetically unfavorable.

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

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