RbVO3
Rubidium metavanadate is an inorganic salt composed of rubidium, vanadium, and oxygen. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of complex vanadium-based materials.
ORbV
Overview
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.
0.25–3.06 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 3.06 | 0.0000 | -7.391 | 3.57 |
| Pm-3m (No. 221) | cubic | 0.25 | 0.3574 | -7.034 | 5.10 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.29 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.56 |
| Pbcm (No. 57) | Orthorhombic | — | — | — | 3.37 |
Uses
Applications
Where RbVO3 is used.
Chemical researchMaterials science synthesisCatalyst development
Reference
Frequently Asked Questions
Common questions about RbVO3, answered from cross-validated data.
What is RbVO3?
Rubidium metavanadate is an inorganic salt composed of rubidium, vanadium, and oxygen. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of complex vanadium-based materials.
More questions
What is RbVO3 used for?
RbVO3 is used in chemical research, materials science synthesis, and catalyst development.
What is the band gap of RbVO3?
RbVO3 has a DFT-computed band gap of 0.25–3.06 eV across 6 reported structures.
Is RbVO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.06 eV it is an insulator / wide-band-gap material.
Is RbVO3 thermodynamically stable?
Yes — RbVO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbVO3?
The lowest-energy reported polymorph of RbVO3 is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of RbVO3?
The computed density of the ground-state structure of RbVO3 is 3.57 g/cm³.
How many polymorphs of RbVO3 are known?
6 structures of RbVO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does RbVO3 contain?
RbVO3 contains O, Rb, and V (3 elements).
Where does the data for RbVO3 come from?
RbVO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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