Rb2Se5
Rubidium pentaselenide is a chalcogenide compound composed of rubidium and selenium. It is primarily utilized in solid-state chemistry research as a precursor for synthesizing more complex selenide materials.
RbSe
Overview
Key Properties
Cross-validated computational properties for Rb2Se5, 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.
0.84 eV
Range across DFT structures
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.
0.190 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 2 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.84 | 0.1901 | -3.359 | 4.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.86 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.86 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.00 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.96 |
Uses
Applications
Where Rb2Se5 is used.
Solid-state chemistry researchPrecursor for semiconductor synthesis
Reference
Frequently Asked Questions
Common questions about Rb2Se5, answered from cross-validated data.
What is Rb2Se5?
Rubidium pentaselenide is a chalcogenide compound composed of rubidium and selenium. It is primarily utilized in solid-state chemistry research as a precursor for synthesizing more complex selenide materials.
More questions
What is Rb2Se5 used for?
Rb2Se5 is used in solid-state chemistry research and precursor for semiconductor synthesis.
What is the band gap of Rb2Se5?
Rb2Se5 has a DFT-computed band gap of 0.84 eV across 8 reported structures.
Is Rb2Se5 a metal, semiconductor, or insulator?
With a band gap up to 0.84 eV it is a semiconductor.
Is Rb2Se5 thermodynamically stable?
Rb2Se5 has a lowest energy above hull of 0.190 eV/atom (above hull).
What is the crystal structure of Rb2Se5?
The lowest-energy reported polymorph of Rb2Se5 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of Rb2Se5?
The computed density of the ground-state structure of Rb2Se5 is 4.06 g/cm³.
How many polymorphs of Rb2Se5 are known?
8 structures of Rb2Se5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Rb2Se5 contain?
Rb2Se5 contains Rb and Se (2 elements).
Where does the data for Rb2Se5 come from?
Rb2Se5 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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