Cs2O4Y2

Cs2O4Y2 is a stable, semiconducting ternary oxide composed of cesium, yttrium, and oxygen.

CsOY
Crystal structure of Cs2O4Y2 (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

About Cs2O4Y2

Cs2O4Y2 is a complex oxide featuring cesium, yttrium, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a well-defined structural arrangement that maintains chemical integrity under standard conditions.

This material exhibits semiconducting electronic character, making it an intriguing candidate for specialized electronic or optoelectronic applications. Its existence across multiple crystallographic databases highlights its significance as a distinct phase within the landscape of ternary oxides.

At a glance

Key Properties

Cross-validated computational properties for Cs2O4Y2, aggregated across 3 databases.

Band Gap

2.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cs2O4Y2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal2.850.0000-7.2635.70
4.31
P63/mmc (No. 194)
Uses

Applications

Where Cs2O4Y2 is used.

Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cs2O4Y2, answered from cross-validated data.

What is Cs2O4Y2?

Cs2O4Y2 is a stable, semiconducting ternary oxide composed of cesium, yttrium, and oxygen.

More questions
What is Cs2O4Y2 used for?
Cs2O4Y2 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of Cs2O4Y2?
Cs2O4Y2 has a DFT-computed band gap of 2.85 eV across 3 reported structures.
Is Cs2O4Y2 a metal, semiconductor, or insulator?
With a band gap up to 2.85 eV it is a semiconductor.
Is Cs2O4Y2 thermodynamically stable?
Yes — Cs2O4Y2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs2O4Y2?
The lowest-energy reported polymorph of Cs2O4Y2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Cs2O4Y2?
The computed density of the ground-state structure of Cs2O4Y2 is 5.70 g/cm³.
How many polymorphs of Cs2O4Y2 are known?
3 structures of Cs2O4Y2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2O4Y2 contain?
Cs2O4Y2 contains Cs, O, and Y (3 elements).
Where does the data for Cs2O4Y2 come from?
Cs2O4Y2 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique ternary oxide phase, Cs2O4Y2 serves as a foundational example of how cesium and yttrium can integrate into a stable oxygen-coordinated framework. While it does not share its specific structural class with other common binary oxides, its stability and semiconducting nature position it as a notable subject for exploring complex oxide behavior.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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