Rb2Se2O7
Rubidium diselenate is a thermodynamically stable, insulating chemical compound containing rubidium, selenium, and oxygen.
About Rb2Se2O7
Rubidium diselenate is a stable inorganic compound composed of rubidium, selenium, and oxygen. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research and structural analysis.
Its position on the convex hull confirms its thermodynamic stability, ensuring that the material maintains its structural integrity under standard conditions. This stability, combined with its distinct chemical composition, allows it to serve as a reliable model system for studying complex oxide-based frameworks.
Key Properties
Cross-validated computational properties for Rb2Se2O7, 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 Rb2Se2O7. 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 Rb2Se2O7, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.09 | 0.0000 | -5.516 | 3.67 |
| C2/c (No. 15) | monoclinic | 2.92 | 0.0000 | -1.182 | — |
| — | — | 0.98 | 0.2062 | -1.103 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 3.59 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.37 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.44 |
Applications
Where Rb2Se2O7 is used.
Frequently Asked Questions
Common questions about Rb2Se2O7, answered from cross-validated data.
What is Rb2Se2O7?
Rubidium diselenate is a thermodynamically stable, insulating chemical compound containing rubidium, selenium, and oxygen.
What is Rb2Se2O7 used for?
What is the band gap of Rb2Se2O7?
Is Rb2Se2O7 a metal, semiconductor, or insulator?
Is Rb2Se2O7 thermodynamically stable?
What is the crystal structure of Rb2Se2O7?
What is the density of Rb2Se2O7?
How many polymorphs of Rb2Se2O7 are known?
What elements does Rb2Se2O7 contain?
Where does the data for Rb2Se2O7 come from?
How It Compares
As a distinct member of the rubidium-selenium-oxygen system, this compound occupies a unique structural niche. Unlike more common binary oxides, its complex stoichiometry allows for a specialized arrangement of polyhedral units, positioning it as a foundational example of stable, insulating ternary selenates.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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