IN

IN is a metallic binary compound of iodine and nitrogen that exhibits significant structural complexity despite its thermodynamic instability.

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

About IN

IN is a metallic compound composed of iodine and nitrogen. Despite its lack of a traditional band gap, it has been the subject of extensive structural investigation, appearing frequently across multiple materials databases.

Its thermodynamic profile suggests it exists in a metastable state above the hull. This instability makes it a fascinating subject for researchers interested in high-pressure synthesis or unconventional bonding environments in binary systems.

At a glance

Key Properties

Cross-validated computational properties for IN, aggregated across 6 databases.

Band Gap

Metallic / not reported

Energy Above Hull

2.008 eV/atom
Best (lowest) across sources

Stability

Above hull
4 DFT sources

Structures

363
6 databases, 31 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of IN. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, nomad

Space Group Consensus

All match
Uses

Applications

Where IN is used.

Materials science researchHigh-pressure phase studiesFundamental chemical bonding analysis
Reference

Frequently Asked Questions

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

What is IN?

IN is a metallic binary compound of iodine and nitrogen that exhibits significant structural complexity despite its thermodynamic instability.

More questions
What is IN used for?
IN is used in materials science research, high-pressure phase studies, and fundamental chemical bonding analysis.
What is the band gap of IN?
IN is computed to be metallic (no band gap) in the reported DFT structures.
Is IN a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is IN thermodynamically stable?
IN has a lowest energy above hull of 2.008 eV/atom (above hull).
How many polymorphs of IN are known?
363 structures of IN are reported across 6 databases, spanning 31 distinct space groups.
What elements does IN contain?
IN contains I and N (2 elements).
Where does the data for IN come from?
IN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary system, IN occupies a distinct niche in materials science. Unlike more common, thermodynamically stable binary compounds, its structural complexity and metastable nature highlight the challenges and opportunities in synthesizing and stabilizing non-equilibrium phases.

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

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