Rb2O2
Rubidium peroxide · Rubidium dioxide
Rubidium peroxide is a reactive inorganic compound containing the peroxide ion. It is primarily utilized as a specialized chemical reagent in laboratory research and synthetic chemistry.
ORb
Overview
Key Properties
Cross-validated computational properties for Rubidium peroxide, 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.
1.76 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
122
3 databases, 28 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2O2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.76 | 0.0000 | -4.197 | 3.81 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2803 | -3.917 | 3.82 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.3011 | -3.896 | 3.28 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.3342 | -3.863 | 3.47 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 1.62 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.22 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.10 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.43 |
| P1 (No. 1) | Triclinic | — | — | — | 3.95 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.35 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.71 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.57 |
Uses
Applications
Where Rubidium peroxide is used.
Chemical synthesisLaboratory research reagent
Reference
Frequently Asked Questions
Common questions about Rubidium peroxide, answered from cross-validated data.
What is Rb2O2?
Rubidium peroxide is a reactive inorganic compound containing the peroxide ion. It is primarily utilized as a specialized chemical reagent in laboratory research and synthetic chemistry.
More questions
What is Rb2O2 used for?
Rubidium peroxide (Rb2O2) is used in chemical synthesis and laboratory research reagent.
What is the band gap of Rb2O2?
Rubidium peroxide (Rb2O2) has a DFT-computed band gap of 1.76 eV across 122 reported structures.
Is Rb2O2 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Rb2O2 thermodynamically stable?
Yes — Rubidium peroxide (Rb2O2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2O2?
The lowest-energy reported polymorph of Rubidium peroxide (Rb2O2) is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Rb2O2?
The computed density of the ground-state structure of Rubidium peroxide (Rb2O2) is 3.81 g/cm³.
How many polymorphs of Rb2O2 are known?
122 structures of Rb2O2 are reported across 3 databases, spanning 28 distinct space groups.
What elements does Rb2O2 contain?
Rubidium peroxide (Rb2O2) contains O and Rb (2 elements).
Where does the data for Rb2O2 come from?
Rb2O2 data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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