YO3

YO3 is a semiconducting yttrium oxide phase that exhibits significant structural diversity despite its metastable nature.

OY
Crystal structure of YO3
Ground-state structure · Materials Project
Overview

About YO3

YO3 is a semiconducting compound composed of yttrium and oxygen. It represents an intriguing phase within the broader landscape of yttrium oxides, characterized by a complex structural landscape with numerous reported configurations.

Due to its position relative to the thermodynamic ground state, this compound is considered metastable. Its existence across a wide variety of structural arrangements highlights the diverse ways yttrium and oxygen can coordinate, making it a subject of interest for theoretical studies in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for YO3, aggregated across 2 databases.

Band Gap

0.19 eV
Range across DFT structures

Energy Above Hull

0.461 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

116
2 databases, 25 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting YO3.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where YO3 is used.

Fundamental materials researchSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about YO3, answered from cross-validated data.

What is YO3?

YO3 is a semiconducting yttrium oxide phase that exhibits significant structural diversity despite its metastable nature.

More questions
What is YO3 used for?
YO3 is used in fundamental materials research and solid-state chemistry modeling.
What is the band gap of YO3?
YO3 has a DFT-computed band gap of 0.19 eV across 116 reported structures.
Is YO3 a metal, semiconductor, or insulator?
With a band gap up to 0.19 eV it is a semiconductor.
Is YO3 thermodynamically stable?
YO3 has a lowest energy above hull of 0.461 eV/atom (above hull).
How many polymorphs of YO3 are known?
116 structures of YO3 are reported across 2 databases, spanning 25 distinct space groups.
How is YO3 synthesized?
Literature-reported routes for YO3 include sol gel, solid state (9 procedures documented).
What elements does YO3 contain?
YO3 contains O and Y (2 elements).
Where does the data for YO3 come from?
YO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique phase within the yttrium-oxygen system, YO3 serves as a specialized point of study for understanding the limits of stoichiometry in metal oxides. Unlike more common, highly stable yttrium oxides, this compound occupies a distinct energetic position that challenges conventional structural predictions.

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

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