O3Sb1V1
Antimony vanadium oxide · VSbO4, Vanadium antimonate
Antimony vanadium oxide is a mixed metal oxide ceramic material often utilized for its catalytic properties. It is frequently studied for its role in selective oxidation processes within industrial chemical synthesis.
OSbV
Overview
Key Properties
Cross-validated computational properties for Antimony vanadium oxide, 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.
1.34 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.
0.046 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O3Sb1V1, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.34 | 0.0463 | -6.842 | 5.83 |
| No. 0 | unknown | — | — | — | 0.78 |
| Pm-3m (No. 221) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.78 |
| Pm-3m (No. 221) | — | — | — | — | — |
Uses
Applications
Where Antimony vanadium oxide is used.
Heterogeneous catalysisSelective oxidation of hydrocarbonsChemical manufacturing
Reference
Frequently Asked Questions
Common questions about Antimony vanadium oxide, answered from cross-validated data.
What is O3Sb1V1?
Antimony vanadium oxide is a mixed metal oxide ceramic material often utilized for its catalytic properties. It is frequently studied for its role in selective oxidation processes within industrial chemical synthesis.
What is O3Sb1V1 used for?
Antimony vanadium oxide (O3Sb1V1) is used in heterogeneous catalysis, selective oxidation of hydrocarbons, and chemical manufacturing.
What is the band gap of O3Sb1V1?
Antimony vanadium oxide (O3Sb1V1) has a DFT-computed band gap of 1.34 eV across 5 reported structures.
Is O3Sb1V1 a metal, semiconductor, or insulator?
With a band gap up to 1.34 eV it is a semiconductor.
Is O3Sb1V1 thermodynamically stable?
Antimony vanadium oxide (O3Sb1V1) has a lowest energy above hull of 0.046 eV/atom (metastable).
What is the crystal structure of O3Sb1V1?
The lowest-energy reported polymorph of Antimony vanadium oxide (O3Sb1V1) is triclinic symmetry, space group P1 (No. 1).
What is the density of O3Sb1V1?
The computed density of the ground-state structure of Antimony vanadium oxide (O3Sb1V1) is 5.83 g/cm³.
How many polymorphs of O3Sb1V1 are known?
5 structures of O3Sb1V1 are reported across 3 databases, spanning 3 distinct space groups.
What elements does O3Sb1V1 contain?
Antimony vanadium oxide (O3Sb1V1) contains O, Sb, and V (3 elements).
Where does the data for O3Sb1V1 come from?
O3Sb1V1 data is cross-referenced from materials_project, cod, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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