VRe2O9
This inorganic compound is a mixed-metal oxide containing vanadium and rhenium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential roles in catalytic processes.
OReV
Overview
Key Properties
Cross-validated computational properties for VRe2O9, 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.
1.90 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.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for VRe2O9, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 1.90 | 0.0000 | -8.721 | 5.11 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.02 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.70 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.76 |
Uses
Applications
Where VRe2O9 is used.
Solid-state chemistry researchCatalysis studiesMaterials science exploration
Reference
Frequently Asked Questions
Common questions about VRe2O9, answered from cross-validated data.
What is VRe2O9?
This inorganic compound is a mixed-metal oxide containing vanadium and rhenium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential roles in catalytic processes.
More questions
What is VRe2O9 used for?
VRe2O9 is used in solid-state chemistry research, catalysis studies, and materials science exploration.
What is the band gap of VRe2O9?
VRe2O9 has a DFT-computed band gap of 1.90 eV across 5 reported structures.
Is VRe2O9 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is VRe2O9 thermodynamically stable?
Yes — VRe2O9 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of VRe2O9?
The lowest-energy reported polymorph of VRe2O9 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of VRe2O9?
The computed density of the ground-state structure of VRe2O9 is 5.11 g/cm³.
How many polymorphs of VRe2O9 are known?
5 structures of VRe2O9 are reported across 3 databases, spanning 1 distinct space group.
What elements does VRe2O9 contain?
VRe2O9 contains O, Re, and V (3 elements).
Where does the data for VRe2O9 come from?
VRe2O9 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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