HfIN

HfIN is a thermodynamically stable, semiconducting ternary compound containing hafnium, iodine, and nitrogen.

HfIN
Crystal structure of HfIN
Ground-state structure · Materials Project
Overview

About HfIN

HfIN is a complex inorganic compound composed of hafnium, iodine, and nitrogen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that is of significant interest for fundamental materials study.

Exhibiting semiconducting electronic character, this material offers unique charge-carrier properties that distinguish it from simple binary nitrides or iodides. Its existence across multiple reported structures highlights its structural versatility and potential for further investigation in high-performance electronic applications.

At a glance

Key Properties

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

Band Gap

0.98 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where HfIN is used.

Semiconductor researchSolid-state materials development
Reference

Frequently Asked Questions

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

What is HfIN?

HfIN is a thermodynamically stable, semiconducting ternary compound containing hafnium, iodine, and nitrogen.

More questions
What is HfIN used for?
HfIN is used in semiconductor research and solid-state materials development.
What is the band gap of HfIN?
HfIN has a DFT-computed band gap of 0.98 eV across 5 reported structures.
Is HfIN a metal, semiconductor, or insulator?
With a band gap up to 0.98 eV it is a semiconductor.
Is HfIN thermodynamically stable?
Yes — HfIN sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HfIN are known?
5 structures of HfIN are reported across 3 databases, spanning 3 distinct space groups.
What elements does HfIN contain?
HfIN contains Hf, I, and N (3 elements).
Where does the data for HfIN come from?
HfIN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, HfIN occupies a distinct position in materials research, serving as a specialized candidate for exploring the interplay between heavy transition metals, halogens, and pnictogens in a stable solid-state framework.

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

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