NbSeI

NbSeI is a thermodynamically stable, semiconducting ternary compound consisting of niobium, selenium, and iodine.

INbSe
Crystal structure of NbSeI
Ground-state structure · Materials Project
Overview

About NbSeI

NbSeI is a distinct ternary compound composed of niobium, selenium, and iodine. As a thermodynamically stable material situated on the convex hull, it represents a robust structural configuration within its chemical system.

This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating specialized electronic and optoelectronic behaviors. Its presence across multiple structural databases highlights its significance as a well-documented inorganic phase.

At a glance

Key Properties

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

Band Gap

0.11–0.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 9 space groups
Uses

Applications

Where NbSeI is used.

Semiconductor researchSolid-state electronics developmentMaterials science exploration
Reference

Frequently Asked Questions

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

What is NbSeI?

NbSeI is a thermodynamically stable, semiconducting ternary compound consisting of niobium, selenium, and iodine.

More questions
What is NbSeI used for?
NbSeI is used in semiconductor research, solid-state electronics development, and materials science exploration.
What is the band gap of NbSeI?
NbSeI has a DFT-computed band gap of 0.11–0.96 eV across 14 reported structures.
Is NbSeI a metal, semiconductor, or insulator?
With a band gap up to 0.96 eV it is a semiconductor.
Is NbSeI thermodynamically stable?
Yes — NbSeI sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NbSeI are known?
14 structures of NbSeI are reported across 3 databases, spanning 9 distinct space groups.
What elements does NbSeI contain?
NbSeI contains I, Nb, and Se (3 elements).
Where does the data for NbSeI come from?
NbSeI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, NbSeI occupies a specialized niche in materials science, serving as a foundational example of how the integration of chalcogens and halogens with transition metals like niobium can yield stable, semiconducting electronic properties.

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

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