RbCr3O8
RbCr3O8 is a stable, semiconducting ternary oxide used in the study of advanced catalytic materials.
About RbCr3O8
RbCr3O8 is a thermodynamically stable oxide that functions as a semiconducting member of the spinel-related catalyst family. Its robust structural integrity and electronic properties make it a subject of interest for researchers investigating complex transition metal oxides for specialized chemical processes. The compound benefits from a well-documented structural history, with multiple reported configurations across major databases. This stability and data availability facilitate its use in fundamental studies aimed at understanding how alkali metal incorporation influences the catalytic behavior of chromium-based oxide frameworks.
Key Properties
Cross-validated computational properties for RbCr3O8, 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 RbCr3O8. 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 RbCr3O8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.92 | 0.0000 | -7.742 | 3.30 |
| — | — | 1.76 | 0.0000 | -1.941 | — |
| C2/m (No. 12) | monoclinic | 0.36 | 0.0000 | -2.064 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.02 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.12 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.31 |
Applications
Where RbCr3O8 is used.
Frequently Asked Questions
Common questions about RbCr3O8, answered from cross-validated data.
What is RbCr3O8?
RbCr3O8 is a stable, semiconducting ternary oxide used in the study of advanced catalytic materials.
What is RbCr3O8 used for?
What is the band gap of RbCr3O8?
Is RbCr3O8 a metal, semiconductor, or insulator?
Is RbCr3O8 thermodynamically stable?
What is the crystal structure of RbCr3O8?
What is the density of RbCr3O8?
How many polymorphs of RbCr3O8 are known?
What elements does RbCr3O8 contain?
Where does the data for RbCr3O8 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simple binary oxides in its class such as ZnO or CuO, RbCr3O8 features a more complex ternary structure that allows for distinct electronic tuning. While classic spinel systems like MgAl2O4 are primarily valued for their structural stability and insulating nature, RbCr3O8 offers a semiconducting character that differentiates it from the more common perovskite-structured catalysts like LaMnO3 or LaAlO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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