RbUO3
RbUO3 is a thermodynamically stable, semiconducting oxide containing rubidium and uranium.
About RbUO3
RbUO3 is a complex oxide featuring rubidium and uranium, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the uranium-based oxide family, offering significant interest for fundamental solid-state studies.
Its structural diversity is evidenced by multiple reported configurations across various databases. This stability and electronic behavior make it a compelling subject for researchers investigating the interplay between heavy elements and alkali metals in crystalline lattices.
Key Properties
Cross-validated computational properties for RbUO3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RbUO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for RbUO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 2.99 | 0.0000 | -3.114 | — |
| Pm-3m (No. 221) | cubic | 0.53 | 0.0000 | -3.146 | — |
| Pm-3m (No. 221) | cubic | 0.45 | 0.0000 | -8.728 | 7.61 |
| — | — | 3.06 | 0.0000 | -3.114 | — |
| — | — | 3.00 | 0.0031 | -3.111 | — |
| — | — | 2.99 | 0.0058 | -3.108 | — |
| — | — | 3.16 | 0.0606 | -3.053 | — |
| — | — | 2.31 | 0.2797 | -2.834 | — |
| — | — | 2.08 | 0.8475 | -2.266 | — |
| — | — | 0.00 | 2.4453 | -0.669 | — |
| Pm-3m (No. 221) | cubic | — | — | — | 7.64 |
| Pm-3m (No. 221) | cubic | — | — | — | 7.80 |
Applications
Where RbUO3 is used.
Patent Landscape
2 patents reference RbUO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11608568 | Single crystalline RbUO3 and method of making and using same | — | — |
| 11661674 | Single crystalline RbUO3 and method of making and using same | — | — |
Frequently Asked Questions
Common questions about RbUO3, answered from cross-validated data.
What is RbUO3?
RbUO3 is a thermodynamically stable, semiconducting oxide containing rubidium and uranium.
What is RbUO3 used for?
What is the band gap of RbUO3?
Is RbUO3 a metal, semiconductor, or insulator?
Is RbUO3 thermodynamically stable?
What is the crystal structure of RbUO3?
How many polymorphs of RbUO3 are known?
What elements does RbUO3 contain?
Where does the data for RbUO3 come from?
How It Compares
As a distinct uranium-based oxide, RbUO3 functions as a stable representative of its chemical class, providing a benchmark for understanding how alkali metal incorporation influences the electronic properties of uranium-oxygen frameworks.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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