Rb2O
Rubidium oxide · Dirubidium oxide
Rubidium oxide is an inorganic compound that acts as a highly reactive basic oxide. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other rubidium-containing materials.
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Overview
Key Properties
Cross-validated computational properties for Rubidium oxide, 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.
0.19–1.65 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.
77
3 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2O, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.45 | 0.0000 | -3.436 | 3.23 |
| P3 (No. 143) | trigonal | 0.19 | 0.0026 | -3.434 | 2.98 |
| Fm-3m (No. 225) | cubic | 1.32 | 0.0032 | -3.433 | 4.02 |
| Pbca (No. 61) | orthorhombic | 1.34 | 0.0141 | -3.422 | 3.96 |
| Pnnm (No. 58) | orthorhombic | 0.31 | 0.0162 | -3.420 | 3.32 |
| P21/c (No. 14) | monoclinic | 0.31 | 0.0181 | -3.418 | 3.34 |
| Pnma (No. 62) | orthorhombic | 1.65 | 0.0320 | -3.404 | 4.33 |
| P-3m1 (No. 164) | trigonal | 0.78 | 0.0479 | -12.297 | 3.38 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 1.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.94 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.02 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.22 |
Uses
Applications
Where Rubidium oxide is used.
Chemical synthesisLaboratory reagentPrecursor for rubidium salts
Reference
Frequently Asked Questions
Common questions about Rubidium oxide, answered from cross-validated data.
What is Rb2O?
Rubidium oxide is an inorganic compound that acts as a highly reactive basic oxide. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other rubidium-containing materials.
More questions
What is Rb2O used for?
Rubidium oxide (Rb2O) is used in chemical synthesis, laboratory reagent, and precursor for rubidium salts.
What is the band gap of Rb2O?
Rubidium oxide (Rb2O) has a DFT-computed band gap of 0.19–1.65 eV across 77 reported structures.
Is Rb2O a metal, semiconductor, or insulator?
With a band gap up to 1.65 eV it is a semiconductor.
Is Rb2O thermodynamically stable?
Yes — Rubidium oxide (Rb2O) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2O?
The lowest-energy reported polymorph of Rubidium oxide (Rb2O) is trigonal symmetry, space group R-3m (No. 166).
What is the density of Rb2O?
The computed density of the ground-state structure of Rubidium oxide (Rb2O) is 3.23 g/cm³.
How many polymorphs of Rb2O are known?
77 structures of Rb2O are reported across 3 databases, spanning 15 distinct space groups.
What elements does Rb2O contain?
Rubidium oxide (Rb2O) contains O and Rb (2 elements).
Where does the data for Rb2O come from?
Rb2O data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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