V3MoO6
V3MoO6 is a metastable, semiconducting ternary oxide of vanadium and molybdenum that is primarily studied for its complex structural properties.
About V3MoO6
V3MoO6 is a complex ternary oxide composed of vanadium, molybdenum, and oxygen. As a semiconducting material, it exhibits electronic properties that make it an intriguing subject for fundamental studies in solid-state chemistry and materials design. Its metastable nature suggests that its synthesis and structural integrity are highly sensitive to processing conditions, which is a common characteristic for complex transition metal oxides in this compositional space. The existence of multiple reported structures across databases highlights its structural flexibility and the ongoing interest in mapping its phase landscape. This compound serves as a valuable case study for understanding how the interplay between vanadium and molybdenum oxidation states influences the overall electronic behavior of the lattice. Because it is not a widely commercialized commodity, its primary utility currently lies in academic research aimed at uncovering new functional properties for potential electronic or catalytic applications.
Key Properties
Cross-validated computational properties for V3MoO6, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for V3MoO6, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 1.09 | 0.0269 | -9.107 | 5.07 |
| R3 (No. 146) | — | — | — | — | — |
| R3 (No. 146) | Trigonal | — | — | — | 5.07 |
| R3 (No. 146) | Trigonal | — | — | — | 5.79 |
| R3 (No. 146) | Trigonal | — | — | — | 5.58 |
Applications
Where V3MoO6 is used.
Frequently Asked Questions
Common questions about V3MoO6, answered from cross-validated data.
What is V3MoO6?
V3MoO6 is a metastable, semiconducting ternary oxide of vanadium and molybdenum that is primarily studied for its complex structural properties.
What is V3MoO6 used for?
What is the band gap of V3MoO6?
Is V3MoO6 a metal, semiconductor, or insulator?
Is V3MoO6 thermodynamically stable?
What is the crystal structure of V3MoO6?
What is the density of V3MoO6?
How many polymorphs of V3MoO6 are known?
What elements does V3MoO6 contain?
Where does the data for V3MoO6 come from?
How It Compares
As a unique ternary oxide, V3MoO6 occupies a specialized niche within the broader family of vanadium-molybdenum-oxygen systems. Unlike more established binary oxides, this compound represents a more complex structural arrangement where the integration of molybdenum into the vanadium oxide framework creates distinct semiconducting pathways, offering a departure from the more common insulating or metallic phases found in simpler transition metal oxide systems.
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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