Rb2Se3
This compound is a rubidium selenide material composed of alkali metal and chalcogen elements. It is primarily utilized in specialized solid-state chemistry research and as a precursor for the synthesis of more complex semiconductor materials.
RbSe
Overview
Key Properties
Cross-validated computational properties for Rb2Se3, 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.
0.68 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2Se3, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.68 | 0.0000 | -3.570 | 3.93 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.78 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.97 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.27 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.60 |
| Immm (No. 71) | Orthorhombic | — | — | — | 2.79 |
| Immm (No. 71) | Orthorhombic | — | — | — | 3.09 |
| Immm (No. 71) | Orthorhombic | — | — | — | 4.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.63 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.86 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 3.89 |
Uses
Applications
Where Rb2Se3 is used.
Solid-state chemistry researchSemiconductor precursor synthesisMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Rb2Se3, answered from cross-validated data.
What is Rb2Se3?
This compound is a rubidium selenide material composed of alkali metal and chalcogen elements. It is primarily utilized in specialized solid-state chemistry research and as a precursor for the synthesis of more complex semiconductor materials.
More questions
What is Rb2Se3 used for?
Rb2Se3 is used in solid-state chemistry research, semiconductor precursor synthesis, and materials science experimentation.
What is the band gap of Rb2Se3?
Rb2Se3 has a DFT-computed band gap of 0.68 eV across 23 reported structures.
Is Rb2Se3 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Rb2Se3 thermodynamically stable?
Yes — Rb2Se3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2Se3?
The lowest-energy reported polymorph of Rb2Se3 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of Rb2Se3?
The computed density of the ground-state structure of Rb2Se3 is 3.93 g/cm³.
How many polymorphs of Rb2Se3 are known?
23 structures of Rb2Se3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Rb2Se3 contain?
Rb2Se3 contains Rb and Se (2 elements).
Where does the data for Rb2Se3 come from?
Rb2Se3 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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