O3P1Y1

Yttrium phosphate · YPO4, Xenotime

Yttrium phosphate is a stable, insulating crystalline material widely utilized for its optical and thermal properties in high-tech applications.

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Overview

About Yttrium phosphate

Yttrium phosphate is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. Its structural integrity and chemical resilience make it a foundational material in high-performance ceramic science and materials engineering.

Due to its wide-band-gap properties, this compound is highly valued for its optical transparency and stability under extreme conditions. It serves as a critical host material for luminescence and is widely utilized in the development of specialized phosphors and laser host crystals.

At a glance

Key Properties

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

Band Gap

0.83–5.86 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

8
3 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for O3P1Y1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal5.680.0000-8.1883.66
P21/m (No. 11)monoclinic5.760.0011-8.1863.74
P21/c (No. 14)monoclinic5.860.0054-8.1823.67
Cc (No. 9)monoclinic5.630.0063-8.1813.81
P1 (No. 1)triclinic0.830.4812-7.7063.74
Pm-3m (No. 221)
Pm-3m (No. 221)
No. 0unknown0.60
Uses

Applications

Where Yttrium phosphate is used.

Phosphor host materialsLaser host crystalsThermal barrier coatingsCatalyst supports
Reference

Frequently Asked Questions

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

What is O3P1Y1?

Yttrium phosphate is a stable, insulating crystalline material widely utilized for its optical and thermal properties in high-tech applications.

More questions
What is O3P1Y1 used for?
Yttrium phosphate (O3P1Y1) is used in phosphor host materials, laser host crystals, thermal barrier coatings, and catalyst supports.
What is the band gap of O3P1Y1?
Yttrium phosphate (O3P1Y1) has a DFT-computed band gap of 0.83–5.86 eV across 8 reported structures.
Is O3P1Y1 a metal, semiconductor, or insulator?
With a wide band gap up to 5.86 eV it is an insulator / wide-band-gap material.
Is O3P1Y1 thermodynamically stable?
Yes — Yttrium phosphate (O3P1Y1) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of O3P1Y1?
The lowest-energy reported polymorph of Yttrium phosphate (O3P1Y1) is trigonal symmetry, space group R-3 (No. 148).
What is the density of O3P1Y1?
The computed density of the ground-state structure of Yttrium phosphate (O3P1Y1) is 3.66 g/cm³.
How many polymorphs of O3P1Y1 are known?
8 structures of O3P1Y1 are reported across 3 databases, spanning 7 distinct space groups.
What elements does O3P1Y1 contain?
Yttrium phosphate (O3P1Y1) contains O, P, and Y (3 elements).
Where does the data for O3P1Y1 come from?
O3P1Y1 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a stable inorganic phosphate, this compound represents a key benchmark for structural predictability and chemical durability within its class of rare-earth orthophosphates.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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