Rb2Se
Rb2Se is a stable semiconducting compound formed from rubidium and selenium that is widely studied for its structural diversity.
About Rb2Se
Rb2Se is a thermodynamically stable binary compound composed of rubidium and selenium. As a member of the alkali metal chalcogenide family, it exhibits semiconducting behavior, making it a subject of interest for fundamental studies in solid-state physics and materials science.
With a significant number of reported structures across various databases, this compound serves as a key reference point for understanding bonding and structural evolution in chalcogenide systems. Its stability on the convex hull highlights its robust nature, positioning it as a reliable candidate for investigating electronic properties in specialized chemical environments.
Key Properties
Cross-validated computational properties for Rb2Se, 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 Rb2Se. 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 Rb2Se, 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. |
|---|---|---|---|---|---|
| — | — | 1.96 | 0.0000 | -1.066 | — |
| Fm-3m (No. 225) | cubic | 1.84 | 0.0000 | -1.166 | — |
| Fm-3m (No. 225) | cubic | 1.80 | 0.0000 | -3.026 | 3.17 |
| — | — | 1.96 | 0.0006 | -1.065 | — |
| — | — | 1.82 | 0.0235 | -1.042 | — |
| — | — | 1.67 | 0.0291 | -1.037 | — |
| — | — | 1.80 | 0.0622 | -1.004 | — |
| — | — | 1.71 | 0.0708 | -0.995 | — |
| — | — | 1.75 | 0.0748 | -0.991 | — |
| — | — | 1.75 | 0.0751 | -0.991 | — |
| — | — | 1.65 | 0.0758 | -0.990 | — |
| — | — | 1.76 | 0.0800 | -0.986 | — |
Applications
Where Rb2Se is used.
Frequently Asked Questions
Common questions about Rb2Se, answered from cross-validated data.
What is Rb2Se?
Rb2Se is a stable semiconducting compound formed from rubidium and selenium that is widely studied for its structural diversity.
What is Rb2Se used for?
What is the band gap of Rb2Se?
Is Rb2Se a metal, semiconductor, or insulator?
Is Rb2Se thermodynamically stable?
What is the crystal structure of Rb2Se?
How many polymorphs of Rb2Se are known?
What elements does Rb2Se contain?
Where does the data for Rb2Se come from?
How It Compares
As a stable binary chalcogenide, Rb2Se represents a foundational structure within its class, providing a benchmark for the electronic and structural trends observed in alkali metal-based semiconductors.
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)
- 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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