Y4Zr3O12

Y4Zr3O12 is a thermodynamically stable, insulating complex oxide used in the study of solid-state ion conduction.

OYZrFluorite Oxide-Ion Conductors
Crystal structure of Y4Zr3O12
Ground-state structure · Materials Project
Overview

About Y4Zr3O12

Y4Zr3O12 is a complex oxide belonging to the fluorite-derived family of materials. As a wide-band-gap insulator, it exhibits robust thermodynamic stability, placing it firmly on the convex hull of its phase space. Its structural complexity is highlighted by its presence in multiple crystallographic databases, reflecting significant interest in its atomic arrangement.

This compound functions as a critical oxide-ion conductor, a class of materials essential for the development of solid-state electrolytes. By facilitating ion transport through its lattice, it serves as a foundational component in the ongoing search for high-performance electrochemical systems and energy storage technologies.

At a glance

Key Properties

Cross-validated computational properties for Y4Zr3O12, aggregated across 3 databases.

Band Gap

4.11–4.20 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Y4Zr3O12.

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

Applications

Where Y4Zr3O12 is used.

Solid-state electrolyte researchIonic conductivity studiesAdvanced ceramic materials development
Reference

Frequently Asked Questions

Common questions about Y4Zr3O12, answered from cross-validated data.

What is Y4Zr3O12?

Y4Zr3O12 is a thermodynamically stable, insulating complex oxide used in the study of solid-state ion conduction.

More questions
What is Y4Zr3O12 used for?
Y4Zr3O12 is used in solid-state electrolyte research, ionic conductivity studies, and advanced ceramic materials development.
What is the band gap of Y4Zr3O12?
Y4Zr3O12 has a DFT-computed band gap of 4.11–4.20 eV across 10 reported structures.
Is Y4Zr3O12 a metal, semiconductor, or insulator?
With a wide band gap up to 4.20 eV it is an insulator / wide-band-gap material.
Is Y4Zr3O12 thermodynamically stable?
Yes — Y4Zr3O12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Y4Zr3O12 are known?
10 structures of Y4Zr3O12 are reported across 3 databases, spanning 2 distinct space groups.
How is Y4Zr3O12 synthesized?
Literature-reported routes for Y4Zr3O12 include sol gel, solid state (3 procedures documented).
What elements does Y4Zr3O12 contain?
Y4Zr3O12 contains O, Y, and Zr (3 elements).
Where does the data for Y4Zr3O12 come from?
Y4Zr3O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the fluorite oxide-ion conductors class.

Within the family of fluorite-derived conductors, Y4Zr3O12 occupies a distinct structural niche compared to pyrochlore-structured siblings like Y2Zr2O7. While many members of this class, such as La2Zr2O7 or CaZrO3, are extensively characterized for their ionic conductivity, Y4Zr3O12 provides a unique stoichiometry that influences its thermodynamic stability and defect chemistry, offering a different pathway for optimizing ion mobility.

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Related Compounds

Other Fluorite Oxide-Ion Conductors in the database.

La2Zr2O7CaZrO3Y2Zr2O7CaHfO3Sm2Zr2O7La4O14Zr4Y2HfO5Ca2O6Zr2Ca2Hf2O6Gd4O14Zr4Ca2Ce2O6Y2Hf2O7
Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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