Rb2V4O9
This compound is a complex oxide containing rubidium and vanadium. It is primarily studied by researchers investigating the structural and magnetic properties of low-dimensional transition metal oxides.
ORbV
Overview
Key Properties
Cross-validated computational properties for Rb2V4O9, 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.
0.10 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.
0.005 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2V4O9, 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. |
|---|---|---|---|---|---|
| P42/m (No. 84) | tetragonal | 0.10 | 0.0049 | -7.980 | 3.63 |
| P42/m (No. 84) | Tetragonal | — | — | — | 3.38 |
| P42/m (No. 84) | Tetragonal | — | — | — | 3.71 |
| P42/m (No. 84) | Tetragonal | — | — | — | 3.47 |
| P42/m (No. 84) | — | — | — | — | — |
Uses
Applications
Where Rb2V4O9 is used.
Materials science researchSolid-state chemistry studiesMagnetic property investigation
Reference
Frequently Asked Questions
Common questions about Rb2V4O9, answered from cross-validated data.
What is Rb2V4O9?
This compound is a complex oxide containing rubidium and vanadium. It is primarily studied by researchers investigating the structural and magnetic properties of low-dimensional transition metal oxides.
What is Rb2V4O9 used for?
Rb2V4O9 is used in materials science research, solid-state chemistry studies, and magnetic property investigation.
What is the band gap of Rb2V4O9?
Rb2V4O9 has a DFT-computed band gap of 0.10 eV across 5 reported structures.
Is Rb2V4O9 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Rb2V4O9 thermodynamically stable?
Rb2V4O9 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of Rb2V4O9?
The lowest-energy reported polymorph of Rb2V4O9 is tetragonal symmetry, space group P42/m (No. 84).
What is the density of Rb2V4O9?
The computed density of the ground-state structure of Rb2V4O9 is 3.63 g/cm³.
How many polymorphs of Rb2V4O9 are known?
5 structures of Rb2V4O9 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb2V4O9 contain?
Rb2V4O9 contains O, Rb, and V (3 elements).
Where does the data for Rb2V4O9 come from?
Rb2V4O9 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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