Rb2Se5
Rb2Se5 is a semiconducting rubidium polyselenide compound characterized by its complex structural arrangements.
About Rb2Se5
Rb2Se5 is a complex rubidium-based chalcogenide that exhibits semiconducting electronic behavior. Its structural configuration highlights the intricate bonding patterns found in alkali metal polyselenides, where the arrangement of selenium chains dictates the material's fundamental properties.
While this compound has been identified across multiple structural databases, its thermodynamic profile suggests it exists in a metastable state relative to its constituent elements. This characteristic makes it a subject of interest for researchers investigating the synthesis and stability of complex selenide frameworks.
Key Properties
Cross-validated computational properties for Rb2Se5, aggregated across 5 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 Rb2Se5. 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 Rb2Se5, 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. |
|---|---|---|---|---|---|
| — | — | 0.90 | 0.0000 | -0.604 | — |
| P212121 (No. 19) | orthorhombic | 0.84 | 0.0000 | -3.696 | 4.06 |
| P212121 (No. 19) | orthorhombic | 0.76 | 0.0000 | -0.645 | — |
| — | — | 0.94 | 0.0123 | -0.592 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.09 |
| P212121 (No. 19) | orthorhombic | — | — | — | 4.00 |
| P-1 (No. 2) | triclinic | — | — | — | 1.86 |
| P212121 (No. 19) | orthorhombic | — | — | — | 3.86 |
| P212121 (No. 19) | orthorhombic | — | — | — | 4.17 |
| P-1 (No. 2) | triclinic | — | — | — | 2.27 |
| P212121 (No. 19) | orthorhombic | — | — | — | 3.96 |
Applications
Where Rb2Se5 is used.
Frequently Asked Questions
Common questions about Rb2Se5, answered from cross-validated data.
What is Rb2Se5?
Rb2Se5 is a semiconducting rubidium polyselenide compound characterized by its complex structural arrangements.
What is Rb2Se5 used for?
What is the band gap of Rb2Se5?
Is Rb2Se5 a metal, semiconductor, or insulator?
Is Rb2Se5 thermodynamically stable?
What is the crystal structure of Rb2Se5?
What is the density of Rb2Se5?
How many polymorphs of Rb2Se5 are known?
What elements does Rb2Se5 contain?
Where does the data for Rb2Se5 come from?
How It Compares
As a member of the alkali metal polyselenide family, Rb2Se5 represents a specific stoichiometry that highlights the diversity of selenium chain formation. Unlike more stable, simpler binary selenides, this compound occupies a unique position in the phase space of rubidium-selenium systems, serving as a case study for the challenges of stabilizing higher-order polyselenide structures.
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)
Analyze Rb2Se5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →