Rb2UO4

Rb2UO4 is a thermodynamically stable semiconducting oxide containing rubidium and uranium.

ORbU
Crystal structure of Rb2UO4 (tetragonal, I4/mmm (No. 139))
Ground-state structure · Materials Project
Overview

About Rb2UO4

Rb2UO4 is a thermodynamically stable inorganic compound composed of rubidium, uranium, and oxygen. As a member of the uranate family, it exhibits semiconducting electronic behavior, making it a subject of interest for fundamental solid-state physics and materials science investigations.

Its position on the convex hull signifies high thermodynamic stability, which facilitates its characterization across multiple structural databases. This stability is essential for understanding the bonding environments and electronic states inherent in complex uranium-based oxides.

At a glance

Key Properties

Cross-validated computational properties for Rb2UO4, aggregated across 3 databases.

Band Gap

1.90 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 Rb2UO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4/mmm (No. 139)tetragonal1.900.0000-7.7645.94
I4/mmm (No. 139)
I4/mmm (No. 139)Tetragonal5.75
I4/mmm (No. 139)Tetragonal6.04
I4/mmm (No. 139)Tetragonal5.86
Uses

Applications

Where Rb2UO4 is used.

Solid-state physics researchMaterials science studiesNuclear fuel cycle chemistry research
Reference

Frequently Asked Questions

Common questions about Rb2UO4, answered from cross-validated data.

What is Rb2UO4?

Rb2UO4 is a thermodynamically stable semiconducting oxide containing rubidium and uranium.

More questions
What is Rb2UO4 used for?
Rb2UO4 is used in solid-state physics research, materials science studies, and nuclear fuel cycle chemistry research.
What is the band gap of Rb2UO4?
Rb2UO4 has a DFT-computed band gap of 1.90 eV across 5 reported structures.
Is Rb2UO4 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is Rb2UO4 thermodynamically stable?
Yes — Rb2UO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2UO4?
The lowest-energy reported polymorph of Rb2UO4 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Rb2UO4?
The computed density of the ground-state structure of Rb2UO4 is 5.94 g/cm³.
How many polymorphs of Rb2UO4 are known?
5 structures of Rb2UO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb2UO4 contain?
Rb2UO4 contains O, Rb, and U (3 elements).
Where does the data for Rb2UO4 come from?
Rb2UO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a stable uranate, Rb2UO4 serves as a representative example of how alkali metals influence the structural framework of uranium-oxygen systems. It provides a baseline for understanding the electronic transitions and lattice dynamics that define the broader class of ternary uranium oxides.

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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