Y6UO12

Y6UO12 is a thermodynamically stable semiconducting oxide composed of yttrium, uranium, and oxygen.

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Crystal structure of Y6UO12 (trigonal, R-3 (No. 148))
Ground-state structure · Materials Project
Overview

About Y6UO12

Y6UO12 is a complex oxide featuring a stable arrangement of yttrium, uranium, and oxygen atoms. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline configuration within its chemical system.

This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating the interplay between rare-earth elements and actinides. Its structural complexity is highlighted by multiple reported configurations across various databases.

At a glance

Key Properties

Cross-validated computational properties for Y6UO12, aggregated across 3 databases.

Band Gap

1.96 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Y6UO12, 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)trigonal1.960.0000-9.7305.98
R-3 (No. 148)
R-3 (No. 148)Trigonal5.96
R-3 (No. 148)Trigonal5.81
R-3 (No. 148)Trigonal6.15
Uses

Applications

Where Y6UO12 is used.

Nuclear materials researchSolid-state chemistry studiesAdvanced ceramic development
Reference

Frequently Asked Questions

Common questions about Y6UO12, answered from cross-validated data.

What is Y6UO12?

Y6UO12 is a thermodynamically stable semiconducting oxide composed of yttrium, uranium, and oxygen.

More questions
What is Y6UO12 used for?
Y6UO12 is used in nuclear materials research, solid-state chemistry studies, and advanced ceramic development.
What is the band gap of Y6UO12?
Y6UO12 has a DFT-computed band gap of 1.96 eV across 5 reported structures.
Is Y6UO12 a metal, semiconductor, or insulator?
With a band gap up to 1.96 eV it is a semiconductor.
Is Y6UO12 thermodynamically stable?
Yes — Y6UO12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y6UO12?
The lowest-energy reported polymorph of Y6UO12 is trigonal symmetry, space group R-3 (No. 148).
What is the density of Y6UO12?
The computed density of the ground-state structure of Y6UO12 is 5.98 g/cm³.
How many polymorphs of Y6UO12 are known?
5 structures of Y6UO12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Y6UO12 contain?
Y6UO12 contains O, U, and Y (3 elements).
Where does the data for Y6UO12 come from?
Y6UO12 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique oxide phase, Y6UO12 serves as a foundational reference point for understanding the structural and electronic properties of yttrium-uranium-oxygen compounds, providing a stable benchmark for exploring similar multi-component ceramic systems.

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

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