O22Re4V4
This complex oxide is a mixed-metal compound containing rhenium and vanadium. It is primarily studied in academic research for its unique structural properties and potential behavior in solid-state chemistry.
OReV
Overview
Key Properties
Cross-validated computational properties for O22Re4V4, 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.
0.68 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.
0.117 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O22Re4V4, 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 | 0.68 | 0.1165 | -8.630 | 4.97 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.2027 | -8.544 | 4.80 |
| P1 (No. 1) | triclinic | 0.00 | 0.2053 | -8.541 | 4.70 |
| — | — | — | — | — | 2.09 |
| Cmc21 (No. 36) | — | — | — | — | — |
| — | — | — | — | — | 5.11 |
| — | — | — | — | — | 5.11 |
| — | — | — | — | — | 5.11 |
Uses
Applications
Where O22Re4V4 is used.
Solid-state chemistry researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about O22Re4V4, answered from cross-validated data.
What is O22Re4V4?
This complex oxide is a mixed-metal compound containing rhenium and vanadium. It is primarily studied in academic research for its unique structural properties and potential behavior in solid-state chemistry.
More questions
What is O22Re4V4 used for?
O22Re4V4 is used in solid-state chemistry research and materials science studies.
What is the band gap of O22Re4V4?
O22Re4V4 has a DFT-computed band gap of 0.68 eV across 8 reported structures.
Is O22Re4V4 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is O22Re4V4 thermodynamically stable?
O22Re4V4 has a lowest energy above hull of 0.117 eV/atom (above hull).
What is the crystal structure of O22Re4V4?
The lowest-energy reported polymorph of O22Re4V4 is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of O22Re4V4?
The computed density of the ground-state structure of O22Re4V4 is 4.97 g/cm³.
How many polymorphs of O22Re4V4 are known?
8 structures of O22Re4V4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does O22Re4V4 contain?
O22Re4V4 contains O, Re, and V (3 elements).
Where does the data for O22Re4V4 come from?
O22Re4V4 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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