ZrSe3

ZrSe3 is a stable semiconducting transition metal trichalcogenide frequently studied for its potential in next-generation electronic devices.

SeZr
Crystal structure of ZrSe3
Ground-state structure · Materials Project
Overview

About ZrSe3

ZrSe3 is a transition metal trichalcogenide that exists as a thermodynamically stable phase on the convex hull. Its semiconducting nature makes it a subject of significant interest for researchers investigating low-dimensional materials and potential electronic components.

Due to its high data richness and structural variety, this compound serves as a foundational material for studying chalcogenide chemistry. It is primarily utilized in experimental settings to explore the behavior of layered semiconductors in thin-film and nanoscale applications.

At a glance

Key Properties

Cross-validated computational properties for ZrSe3, aggregated across 4 databases.

Band Gap

0.40 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

97
4 databases, 20 space groups
Uses

Applications

Where ZrSe3 is used.

Semiconductor researchNanoscale electronic device developmentThin-film material studies
Reference

Frequently Asked Questions

Common questions about ZrSe3, answered from cross-validated data.

What is ZrSe3?

ZrSe3 is a stable semiconducting transition metal trichalcogenide frequently studied for its potential in next-generation electronic devices.

More questions
What is ZrSe3 used for?
ZrSe3 is used in semiconductor research, nanoscale electronic device development, and thin-film material studies.
What is the band gap of ZrSe3?
ZrSe3 has a DFT-computed band gap of 0.40 eV across 97 reported structures.
Is ZrSe3 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is ZrSe3 thermodynamically stable?
Yes — ZrSe3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrSe3 are known?
97 structures of ZrSe3 are reported across 4 databases, spanning 20 distinct space groups.
What elements does ZrSe3 contain?
ZrSe3 contains Se and Zr (2 elements).
Where does the data for ZrSe3 come from?
ZrSe3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a prominent transition metal trichalcogenide, ZrSe3 represents a stable and well-characterized member of its class, serving as a benchmark for understanding the electronic and structural trends inherent to group four chalcogenides.

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

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