Rb2SeO4
Rubidium selenate
Rubidium selenate is an inorganic salt composed of rubidium, selenium, and oxygen. It is primarily utilized in specialized laboratory research and as a precursor for the synthesis of other selenium-containing chemical compounds.
ORbSe
Overview
Key Properties
Cross-validated computational properties for Rubidium selenate, 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.
3.61–3.75 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.
12
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2SeO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.66 | 0.0000 | -5.410 | 3.94 |
| Cc (No. 9) | monoclinic | 3.61 | 0.0144 | -5.395 | 3.46 |
| Ama2 (No. 40) | orthorhombic | 3.75 | 0.0229 | -5.387 | 3.67 |
| Cc (No. 9) | monoclinic | 0.00 | 0.7986 | -4.611 | 2.69 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.46 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.67 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.54 |
| Ama2 (No. 40) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.66 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.89 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.74 |
Uses
Applications
Where Rubidium selenate is used.
Chemical synthesisLaboratory researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about Rubidium selenate, answered from cross-validated data.
What is Rb2SeO4?
Rubidium selenate is an inorganic salt composed of rubidium, selenium, and oxygen. It is primarily utilized in specialized laboratory research and as a precursor for the synthesis of other selenium-containing chemical compounds.
More questions
What is Rb2SeO4 used for?
Rubidium selenate (Rb2SeO4) is used in chemical synthesis, laboratory research, and materials science studies.
What is the band gap of Rb2SeO4?
Rubidium selenate (Rb2SeO4) has a DFT-computed band gap of 3.61–3.75 eV across 12 reported structures.
Is Rb2SeO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.75 eV it is an insulator / wide-band-gap material.
Is Rb2SeO4 thermodynamically stable?
Yes — Rubidium selenate (Rb2SeO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2SeO4?
The lowest-energy reported polymorph of Rubidium selenate (Rb2SeO4) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Rb2SeO4?
The computed density of the ground-state structure of Rubidium selenate (Rb2SeO4) is 3.94 g/cm³.
How many polymorphs of Rb2SeO4 are known?
12 structures of Rb2SeO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Rb2SeO4 contain?
Rubidium selenate (Rb2SeO4) contains O, Rb, and Se (3 elements).
Where does the data for Rb2SeO4 come from?
Rb2SeO4 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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