RbO3
RbO3 is a metastable, semiconducting rubidium ozonide characterized by a high degree of structural diversity.
About RbO3
RbO3 is a semiconducting rubidium ozonide that exists in a metastable state. Its complex structural landscape is highlighted by a significant number of reported configurations across major materials databases, reflecting the intricate bonding environment of the ozonide anion within the rubidium lattice.
This compound is of particular interest to researchers studying high-energy oxygen-rich phases and the fundamental electronic behavior of alkali metal ozonides. Its semiconducting nature and metastable character make it a subject of ongoing investigation in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for RbO3, 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.
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 RbO3. 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 RbO3, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.877 | — |
| — | — | 0.00 | 0.0039 | -0.873 | — |
| P21/c (No. 14) | monoclinic | 0.77 | 0.0178 | -0.737 | — |
| P21/c (No. 14) | monoclinic | 0.89 | 0.0828 | -4.603 | 2.88 |
| — | — | 0.00 | 0.9615 | 0.084 | — |
| — | — | 0.00 | 1.8273 | 0.950 | — |
| — | — | 0.00 | 1.8333 | 0.956 | — |
| — | — | 0.00 | 1.8538 | 0.977 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 1.79 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.58 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.50 |
| Cc (No. 9) | monoclinic | — | — | — | 2.80 |
Applications
Where RbO3 is used.
Frequently Asked Questions
Common questions about RbO3, answered from cross-validated data.
What is RbO3?
RbO3 is a metastable, semiconducting rubidium ozonide characterized by a high degree of structural diversity.
What is RbO3 used for?
What is the band gap of RbO3?
Is RbO3 a metal, semiconductor, or insulator?
Is RbO3 thermodynamically stable?
What is the crystal structure of RbO3?
How many polymorphs of RbO3 are known?
What elements does RbO3 contain?
Where does the data for RbO3 come from?
How It Compares
As a member of the alkali ozonide family, RbO3 represents a specialized class of oxygen-rich materials where the stability and electronic properties are highly sensitive to the size and coordination of the alkali cation. It serves as a critical reference point for understanding the structural diversity and metastability inherent in these unconventional inorganic compounds.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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