YClO

YClO is a thermodynamically stable, wide-band-gap insulating compound containing yttrium, chlorine, and oxygen.

ClOY
Crystal structure of YClO
Ground-state structure · Materials Project
Overview

About YClO

YClO is a crystalline inorganic compound composed of yttrium, chlorine, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a significant subject of study in materials science research. Its position on the convex hull confirms that it is a thermodynamically stable phase under standard conditions. The compound is characterized by a high degree of structural diversity, with numerous reported configurations across various databases, highlighting its complex coordination environment. This structural flexibility is a hallmark of its class, providing a foundation for potential functional applications in optoelectronics and dielectric materials.

At a glance

Key Properties

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

Band Gap

2.13–5.09 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

27
4 databases, 10 space groups
Uses

Applications

Where YClO is used.

Dielectric materials researchOptoelectronic component developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

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

What is YClO?

YClO is a thermodynamically stable, wide-band-gap insulating compound containing yttrium, chlorine, and oxygen.

More questions
What is YClO used for?
YClO is used in dielectric materials research, optoelectronic component development, and solid-state chemistry studies.
What is the band gap of YClO?
YClO has a DFT-computed band gap of 2.13–5.09 eV across 27 reported structures.
Is YClO a metal, semiconductor, or insulator?
With a wide band gap up to 5.09 eV it is an insulator / wide-band-gap material.
Is YClO thermodynamically stable?
Yes — YClO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of YClO are known?
27 structures of YClO are reported across 4 databases, spanning 10 distinct space groups.
What elements does YClO contain?
YClO contains Cl, O, and Y (3 elements).
Where does the data for YClO come from?
YClO data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable oxyhalide, YClO serves as a representative example of the structural versatility found within yttrium-based insulating compounds. While it occupies a unique space in its chemical family, it shares the characteristic stability and insulating nature common to high-performance dielectric materials, serving as a benchmark for understanding how anionic substitution influences the lattice architecture of rare-earth compounds.

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

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