Y2O3

Yttrium oxide · Yttria

Yttrium oxide is a stable, insulating ceramic compound widely utilized for its optical, thermal, and dielectric properties in advanced technology.

OY
Crystal structure of Y2O3 (cubic, Ia-3 (No. 206))
Ground-state structure · Materials Project
Overview

About Yttrium oxide

Yttrium oxide is a robust, thermodynamically stable ceramic material that serves as a foundational oxide in materials science. As a wide-gap insulator, it exhibits excellent dielectric properties and thermal resilience, making it a preferred choice for high-performance industrial and scientific environments.

Its structural versatility is highlighted by the extensive number of reported configurations found across major materials databases. This adaptability allows it to function effectively as a host material for phosphors, a protective coating, and a key component in specialized glass and ceramic manufacturing.

At a glance

Key Properties

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

Band Gap

1.59–4.56 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

116
3 databases, 19 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Y2O3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Ia-3 (No. 206)cubic4.100.0000-9.5265.03
C2/m (No. 12)monoclinic3.960.0342-9.4925.46
P21/m (No. 11)monoclinic3.700.0418-9.4845.36
R-3c (No. 167)trigonal4.450.0494-9.4775.16
P-3m1 (No. 164)trigonal4.080.0572-9.4695.55
Pbca (No. 61)orthorhombic4.560.0583-9.4685.25
P21/m (No. 11)monoclinic2.800.0902-9.4365.31
Pnma (No. 62)orthorhombic3.040.1231-9.4035.71
P1 (No. 1)triclinic3.050.2260-9.3004.72
P1 (No. 1)triclinic2.820.2398-9.2864.65
P1 (No. 1)triclinic2.910.2424-9.2844.70
P1 (No. 1)triclinic2.940.2611-9.2654.72
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Y2O3.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Yttrium oxide is used.

Phosphor host materialsOptical coatingsHigh-temperature ceramicsDielectric layers in semiconductorsSpecialized glass manufacturing
Reference

Frequently Asked Questions

Common questions about Yttrium oxide, answered from cross-validated data.

What is Y2O3?

Yttrium oxide is a stable, insulating ceramic compound widely utilized for its optical, thermal, and dielectric properties in advanced technology.

More questions
What is Y2O3 used for?
Yttrium oxide (Y2O3) is used in phosphor host materials, optical coatings, high-temperature ceramics, dielectric layers in semiconductors, and specialized glass manufacturing.
What is the band gap of Y2O3?
Yttrium oxide (Y2O3) has a DFT-computed band gap of 1.59–4.56 eV across 116 reported structures.
Is Y2O3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.56 eV it is an insulator / wide-band-gap material.
Is Y2O3 thermodynamically stable?
Yes — Yttrium oxide (Y2O3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y2O3?
The lowest-energy reported polymorph of Yttrium oxide (Y2O3) is cubic symmetry, space group Ia-3 (No. 206).
What is the density of Y2O3?
The computed density of the ground-state structure of Yttrium oxide (Y2O3) is 5.03 g/cm³.
How many polymorphs of Y2O3 are known?
116 structures of Y2O3 are reported across 3 databases, spanning 19 distinct space groups.
How is Y2O3 synthesized?
Literature-reported routes for Y2O3 include sol-gel (10 procedures documented).
What elements does Y2O3 contain?
Yttrium oxide (Y2O3) contains O and Y (2 elements).
Where does the data for Y2O3 come from?
Y2O3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a prominent and well-characterized oxide, Yttrium oxide serves as a benchmark for stability and performance within its class of rare-earth oxides, frequently setting the standard for chemical durability and optical clarity.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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