Rb2O2
rubidium peroxide · rubidium dioxide
Rubidium peroxide is a stable, semiconducting inorganic compound used primarily as a reactive chemical intermediate in specialized laboratory research.
About rubidium peroxide
Rubidium peroxide is a semiconducting inorganic compound composed of rubidium and oxygen. As a thermodynamically stable member of the alkali metal peroxide family, it maintains a well-defined structure that is highly significant for fundamental materials research. Its electronic character and chemical composition make it a distinct subject for structural analysis within condensed matter physics. The compound is primarily utilized in specialized chemical synthesis and as a precursor in laboratory-scale inorganic reactions, where its reactivity is carefully controlled. Its stability on the convex hull ensures that it remains a reliable reference point for researchers studying the behavior of alkali metal oxides under various experimental conditions.
Key Properties
Cross-validated computational properties for rubidium peroxide, aggregated across 2 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Rb2O2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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. |
|---|---|---|---|---|---|
| — | — | 2.11 | 0.0000 | -1.202 | — |
| Immm (No. 71) | orthorhombic | 1.78 | 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 |
| — | — | 0.00 | 0.5838 | -0.618 | — |
| — | — | 0.00 | 0.5848 | -0.617 | — |
| — | — | 0.00 | 0.6031 | -0.599 | — |
| — | — | 0.00 | 0.6275 | -0.575 | — |
| — | — | 0.00 | 0.6834 | -0.519 | — |
| — | — | 0.00 | 0.7275 | -0.475 | — |
| P-1 (No. 2) | triclinic | — | — | — | 1.88 |
Applications
Where rubidium peroxide is used.
Frequently Asked Questions
Common questions about rubidium peroxide, answered from cross-validated data.
What is Rb2O2?
Rubidium peroxide is a stable, semiconducting inorganic compound used primarily as a reactive chemical intermediate in specialized laboratory research.
What is Rb2O2 used for?
What is the band gap of Rb2O2?
Is Rb2O2 a metal, semiconductor, or insulator?
Is Rb2O2 thermodynamically stable?
What is the crystal structure of Rb2O2?
What is the density of Rb2O2?
How many polymorphs of Rb2O2 are known?
What elements does Rb2O2 contain?
Where does the data for Rb2O2 come from?
How It Compares
As a stable peroxide, this compound serves as a critical reference point for understanding the bonding and electronic behavior of alkali metal oxygen systems. It provides essential insights into the structural trends observed across the broader category of rubidium-based oxides.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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