Ce2Y2O7

Ce2Y2O7 is a metastable, semiconducting oxide-ion conductor used in materials science research for its potential in electrochemical applications.

Crystal structure of Ce2Y2O7 (triclinic, P1 (No. 1))
Ground-state structure · Materials Project
Overview

About Ce2Y2O7

Ce2Y2O7 is a complex oxide belonging to the fluorite-related family of materials. Characterized by its semiconducting electronic nature, this compound represents a metastable phase that offers unique pathways for ion transport within its crystal lattice.

Its significance lies in the ongoing search for stable, high-performance electrolytes capable of operating in demanding thermal environments. As a member of the fluorite oxide-ion conductor class, it is studied for its ability to facilitate oxygen mobility, which is critical for the development of next-generation electrochemical devices.

At a glance

Key Properties

Cross-validated computational properties for Ce2Y2O7, aggregated across 3 databases.

Band Gap

1.65–2.06 eV
Range across DFT structures

Energy Above Hull

0.040 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ce2Y2O7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P1 (No. 1)triclinic1.740.0398-9.3115.91
Pmma (No. 51)orthorhombic1.650.0680-9.2835.92
P-4m2 (No. 115)tetragonal2.060.0901-9.2615.86
Pmma (No. 51)Orthorhombic5.92
Pmma (No. 51)Orthorhombic6.18
Pmma (No. 51)Orthorhombic6.05
P-4m2 (No. 115)
P-4m2 (No. 115)Tetragonal5.97
P-4m2 (No. 115)Tetragonal6.14
P-4m2 (No. 115)Tetragonal5.86
Uses

Applications

Where Ce2Y2O7 is used.

Solid oxide fuel cell electrolytesOxygen sensor materialsCatalysis research
Reference

Frequently Asked Questions

Common questions about Ce2Y2O7, answered from cross-validated data.

What is Ce2Y2O7?

Ce2Y2O7 is a metastable, semiconducting oxide-ion conductor used in materials science research for its potential in electrochemical applications.

More questions
What is Ce2Y2O7 used for?
Ce2Y2O7 is used in solid oxide fuel cell electrolytes, oxygen sensor materials, and catalysis research.
What is the band gap of Ce2Y2O7?
Ce2Y2O7 has a DFT-computed band gap of 1.65–2.06 eV across 10 reported structures.
Is Ce2Y2O7 a metal, semiconductor, or insulator?
With a band gap up to 2.06 eV it is a semiconductor.
Is Ce2Y2O7 thermodynamically stable?
Ce2Y2O7 has a lowest energy above hull of 0.040 eV/atom (metastable).
What is the crystal structure of Ce2Y2O7?
The lowest-energy reported polymorph of Ce2Y2O7 is triclinic symmetry, space group P1 (No. 1).
What is the density of Ce2Y2O7?
The computed density of the ground-state structure of Ce2Y2O7 is 5.91 g/cm³.
How many polymorphs of Ce2Y2O7 are known?
10 structures of Ce2Y2O7 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ce2Y2O7 contain?
Ce2Y2O7 contains Ce, O, and Y (3 elements).
Where does the data for Ce2Y2O7 come from?
Ce2Y2O7 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the fluorite oxide-ion conductors class.

Within the broader class of fluorite-based conductors, Ce2Y2O7 occupies a distinct niche compared to more traditional, highly stable zirconate-based structures like La2Zr2O7 or Y2Zr2O7. While many of its siblings are prized for their exceptional thermodynamic robustness, Ce2Y2O7 is notable for its metastable character, which provides a different structural framework that researchers investigate to tune ionic conductivity and electronic behavior.

Explore

Related Compounds

Other Fluorite Oxide-Ion Conductors in the database.

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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