RbWO3
RbWO3 is a stable semiconducting material composed of rubidium, tungsten, and oxygen that is frequently studied for its structural diversity.
About RbWO3
RbWO3 is a semiconducting inorganic compound composed of rubidium, tungsten, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements, making it a subject of interest for fundamental solid-state studies.
With numerous reported structures across multiple databases, this material provides a rich landscape for investigating the relationship between its atomic arrangement and electronic behavior. Its stability suggests potential for integration into specialized electronic or catalytic applications where consistent material performance is required.
Key Properties
Cross-validated computational properties for RbWO3, 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 RbWO3. 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 RbWO3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -2.371 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0631 | -2.308 | — |
| — | — | 0.00 | 0.1146 | -2.262 | — |
| — | — | 0.00 | 0.1147 | -2.262 | — |
| — | — | 0.00 | 0.1150 | -2.262 | — |
| — | — | 0.00 | 0.1175 | -2.259 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1532 | -7.797 | 7.88 |
| — | — | 0.00 | 0.1581 | -2.219 | — |
| — | — | 0.00 | 0.2382 | -2.138 | — |
| — | — | 1.41 | 0.4763 | -1.900 | — |
| — | — | 0.00 | 1.8482 | -0.528 | — |
| — | — | 0.00 | 3.9302 | 1.554 | — |
Applications
Where RbWO3 is used.
Frequently Asked Questions
Common questions about RbWO3, answered from cross-validated data.
What is RbWO3?
RbWO3 is a stable semiconducting material composed of rubidium, tungsten, and oxygen that is frequently studied for its structural diversity.
What is RbWO3 used for?
What is the band gap of RbWO3?
Is RbWO3 a metal, semiconductor, or insulator?
Is RbWO3 thermodynamically stable?
What is the crystal structure of RbWO3?
How many polymorphs of RbWO3 are known?
What elements does RbWO3 contain?
Where does the data for RbWO3 come from?
How It Compares
As a distinct member of the rubidium-tungsten-oxide system, RbWO3 occupies a stable position that distinguishes it from more transient or metastable phases. It serves as a reliable reference point for understanding how alkali metal incorporation modifies the electronic properties of tungsten-based frameworks.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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