H6CIN

H6CIN is a metastable, insulating chemical compound composed of hydrogen, carbon, iodine, and nitrogen.

CHIN
Crystal structure of H6CIN
Ground-state structure · Materials Project
Overview

About H6CIN

H6CIN is an insulating material characterized by a wide electronic band gap. As a metastable compound, it represents a unique structural configuration that requires specific conditions for synthesis and stabilization within laboratory environments. Its electronic nature suggests it acts primarily as a dielectric or structural component rather than a conductive medium. The study of this material is essential for understanding the phase space of hydrogen-rich nitrogen-containing compounds. Its limited structural reports highlight its role as a niche subject in materials science, providing insights into the bonding behaviors of its constituent elements under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for H6CIN, aggregated across 3 databases.

Band Gap

4.14–4.34 eV
Range across DFT structures

Energy Above Hull

0.058 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 3 space groups
Uses

Applications

Where H6CIN is used.

Fundamental materials researchChemical synthesis studiesSolid-state structural analysis
Reference

Frequently Asked Questions

Common questions about H6CIN, answered from cross-validated data.

What is H6CIN?

H6CIN is a metastable, insulating chemical compound composed of hydrogen, carbon, iodine, and nitrogen.

More questions
What is H6CIN used for?
H6CIN is used in fundamental materials research, chemical synthesis studies, and solid-state structural analysis.
What is the band gap of H6CIN?
H6CIN has a DFT-computed band gap of 4.14–4.34 eV across 4 reported structures.
Is H6CIN a metal, semiconductor, or insulator?
With a wide band gap up to 4.34 eV it is an insulator / wide-band-gap material.
Is H6CIN thermodynamically stable?
H6CIN has a lowest energy above hull of 0.058 eV/atom (metastable).
How many polymorphs of H6CIN are known?
4 structures of H6CIN are reported across 3 databases, spanning 3 distinct space groups.
What elements does H6CIN contain?
H6CIN contains C, H, I, and N (4 elements).
Where does the data for H6CIN come from?
H6CIN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique, unclassified material, H6CIN occupies a specialized position in chemical databases. Without direct structural siblings for comparison, it serves as an independent case study for metastable phases, offering a distinct example of how nitrogen and iodine interact within a hydrogen-rich framework to form an insulating solid.

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

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