I4Sb4Se4

I4Sb4Se4 is a stable, semiconducting antimony-based chalcogenide used primarily in advanced materials research.

Crystal structure of I4Sb4Se4
Ground-state structure · Materials Project
Overview

About I4Sb4Se4

I4Sb4Se4 is a semiconducting compound belonging to the broader family of chalcogenide-based thermoelectric materials. As a phase that sits directly on the thermodynamic convex hull, it exhibits notable structural stability, making it a subject of interest for researchers investigating complex inorganic frameworks. Its composition, involving antimony and selenium, aligns it with materials frequently studied for their unique electronic transport properties.

This compound is primarily utilized in fundamental materials science research to better understand the relationship between crystal structure and electronic behavior. Given the data-rich nature of this material, it serves as a valuable reference point for computational modeling and experimental validation within the chalcogenide class.

At a glance

Key Properties

Cross-validated computational properties for I4Sb4Se4, aggregated across 3 databases.

Band Gap

1.38 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, 2 space groups
Uses

Applications

Where I4Sb4Se4 is used.

Thermoelectric materials researchSolid-state physics studiesComputational materials modeling
Reference

Frequently Asked Questions

Common questions about I4Sb4Se4, answered from cross-validated data.

What is I4Sb4Se4?

I4Sb4Se4 is a stable, semiconducting antimony-based chalcogenide used primarily in advanced materials research.

More questions
What is I4Sb4Se4 used for?
I4Sb4Se4 is used in thermoelectric materials research, solid-state physics studies, and computational materials modeling.
What is the band gap of I4Sb4Se4?
I4Sb4Se4 has a DFT-computed band gap of 1.38 eV across 5 reported structures.
Is I4Sb4Se4 a metal, semiconductor, or insulator?
With a band gap up to 1.38 eV it is a semiconductor.
Is I4Sb4Se4 thermodynamically stable?
Yes — I4Sb4Se4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of I4Sb4Se4 are known?
5 structures of I4Sb4Se4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does I4Sb4Se4 contain?
I4Sb4Se4 contains I, Sb, and Se (3 elements).
Where does the data for I4Sb4Se4 come from?
I4Sb4Se4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the bismuth chalcogenide thermoelectrics class.

Within the diverse landscape of bismuth and antimony chalcogenides, I4Sb4Se4 occupies a distinct niche compared to more conventional thermoelectric workhorses like Bi2Te3 or Sb2Se3. While many of its siblings are widely deployed for their established performance in heat-to-electricity conversion, I4Sb4Se4 is distinguished by its specific stoichiometry and structural complexity, offering a different perspective on how these elements can be arranged to maintain thermodynamic stability.

Explore

Related Compounds

Other Bismuth Chalcogenide Thermoelectrics in the database.

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

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