Rb2U2O7
Rubidium diuranate is a stable, semiconducting inorganic oxide containing rubidium and uranium.
About Rb2U2O7
Rubidium diuranate is a complex oxide featuring rubidium and uranium in an oxygen-coordinated framework. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, characterized by its semiconducting electronic nature.
This material is of significant interest in fundamental actinide chemistry and solid-state physics. Its structural versatility is evidenced by multiple reported configurations, making it a valuable subject for investigating the interplay between heavy metal cations and alkali metals in oxide lattices.
Key Properties
Cross-validated computational properties for Rb2U2O7, 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 Rb2U2O7. 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 Rb2U2O7, 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. |
|---|---|---|---|---|---|
| — | — | 2.87 | 0.0000 | -2.962 | — |
| P21/c (No. 14) | monoclinic | 1.69 | 0.0000 | -8.684 | 6.41 |
| Pm (No. 6) | monoclinic | 1.50 | 0.0000 | -3.016 | — |
| P-1 (No. 2) | triclinic | 1.64 | 0.0043 | -8.680 | 6.45 |
| — | — | 0.00 | 0.0155 | -2.947 | — |
| Pm (No. 6) | monoclinic | 1.51 | 0.0633 | -8.621 | 6.19 |
| P-1 (No. 2) | triclinic | — | — | — | 6.25 |
| P-1 (No. 2) | triclinic | — | — | — | 6.58 |
| P-1 (No. 2) | triclinic | — | — | — | 6.34 |
| Pm (No. 6) | monoclinic | — | — | — | 6.30 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.55 |
| P21/c (No. 14) | monoclinic | — | — | — | 6.21 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Rb2U2O7.
Applications
Where Rb2U2O7 is used.
Frequently Asked Questions
Common questions about Rb2U2O7, answered from cross-validated data.
What is Rb2U2O7?
Rubidium diuranate is a stable, semiconducting inorganic oxide containing rubidium and uranium.
What is Rb2U2O7 used for?
What is the band gap of Rb2U2O7?
Is Rb2U2O7 a metal, semiconductor, or insulator?
Is Rb2U2O7 thermodynamically stable?
What is the crystal structure of Rb2U2O7?
What is the density of Rb2U2O7?
How many polymorphs of Rb2U2O7 are known?
How is Rb2U2O7 synthesized?
What elements does Rb2U2O7 contain?
Where does the data for Rb2U2O7 come from?
How It Compares
As a stable diuranate, this compound serves as a key reference point for understanding the structural and electronic trends of alkali metal uranates. It demonstrates the structural stability typical of well-defined uranium-based oxides, providing a baseline for comparing the behavior of similar heavy-metal complex oxides.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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