RbVO3
Rubidium metavanadate is a stable, insulating inorganic compound characterized by its well-defined structural properties.
About RbVO3
Rubidium metavanadate is a stable inorganic compound that exists on the thermodynamic convex hull, indicating robust structural integrity. It functions as a wide-gap insulator, a characteristic that defines its electronic behavior and potential utility in specialized materials science applications.
With multiple reported structures across major databases, this compound is a well-documented subject for crystallographic studies. Its stable nature makes it a reliable candidate for researchers investigating the fundamental properties of vanadate-based systems.
Key Properties
Cross-validated computational properties for RbVO3, 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 RbVO3. 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 RbVO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.20 | 0.0000 | -2.369 | — |
| Pbcm (No. 57) | orthorhombic | 3.06 | 0.0000 | -7.391 | 3.57 |
| — | — | 2.48 | 0.0294 | -2.339 | — |
| — | — | 3.39 | 0.0310 | -2.338 | — |
| — | — | 2.85 | 0.0370 | -2.331 | — |
| — | — | 2.54 | 0.1353 | -2.233 | — |
| — | — | 0.39 | 0.1388 | -2.230 | — |
| — | — | 1.82 | 0.1417 | -2.227 | — |
| Pm-3m (No. 221) | cubic | 0.18 | 0.1572 | -2.199 | — |
| — | — | 2.10 | 0.1590 | -2.210 | — |
| — | — | 0.39 | 0.3557 | -2.013 | — |
| Pm-3m (No. 221) | cubic | 0.25 | 0.3574 | -7.034 | 5.10 |
Applications
Where RbVO3 is used.
Frequently Asked Questions
Common questions about RbVO3, answered from cross-validated data.
What is RbVO3?
Rubidium metavanadate is a stable, insulating inorganic compound characterized by its well-defined structural properties.
What is RbVO3 used for?
What is the band gap of RbVO3?
Is RbVO3 a metal, semiconductor, or insulator?
Is RbVO3 thermodynamically stable?
What is the crystal structure of RbVO3?
What is the density of RbVO3?
How many polymorphs of RbVO3 are known?
What elements does RbVO3 contain?
Where does the data for RbVO3 come from?
How It Compares
As a distinct member of the rubidium vanadate family, this compound serves as a baseline for understanding the structural and electronic trends within its class. Its thermodynamic stability provides a clear reference point for evaluating the synthesis and behavior of related alkali metal vanadates.
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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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