YSeCl

YSeCl is a semiconducting ternary compound containing yttrium, selenium, and chlorine that exhibits diverse structural configurations.

ClSeY
Crystal structure of YSeCl
Ground-state structure · Materials Project
Overview

About YSeCl

YSeCl is a complex ternary compound composed of yttrium, selenium, and chlorine. As a semiconducting material, it represents a niche area of inorganic chemistry where the interplay between rare-earth elements and chalcogen-halide frameworks creates unique electronic environments.

While the compound is currently identified as thermodynamically metastable, it remains a subject of interest due to its structural complexity. The existence of multiple reported structural configurations suggests a rich landscape for potential phase exploration and materials discovery.

At a glance

Key Properties

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

Band Gap

1.89 eV
Range across DFT structures

Energy Above Hull

0.829 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 6 space groups
Reference

Frequently Asked Questions

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

What is YSeCl?

YSeCl is a semiconducting ternary compound containing yttrium, selenium, and chlorine that exhibits diverse structural configurations.

More questions
What is the band gap of YSeCl?
YSeCl has a DFT-computed band gap of 1.89 eV across 8 reported structures.
Is YSeCl a metal, semiconductor, or insulator?
With a band gap up to 1.89 eV it is a semiconductor.
Is YSeCl thermodynamically stable?
YSeCl has a lowest energy above hull of 0.829 eV/atom (above hull).
How many polymorphs of YSeCl are known?
8 structures of YSeCl are reported across 3 databases, spanning 6 distinct space groups.
What elements does YSeCl contain?
YSeCl contains Cl, Se, and Y (3 elements).
Where does the data for YSeCl come from?
YSeCl data is cross-referenced from latticegraph.
Reading

Related Research

Comparison

How It Compares

As a unique ternary phase, YSeCl stands as a specialized entry in the broader landscape of yttrium-based chalcogen-halides, serving as a reference point for understanding the stability and electronic behavior of complex anionic frameworks.

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

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