TiV3O8
TiV3O8 is a metastable semiconducting oxide containing titanium and vanadium that is studied for its diverse structural configurations.
About TiV3O8
TiV3O8 is a complex ternary oxide composed of titanium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it an intriguing subject for research into transition metal oxide systems where structural diversity plays a key role in performance.
Because it exists in a metastable state, this compound represents a unique phase that requires precise synthesis conditions to stabilize. Its existence across multiple reported structures suggests a rich landscape of potential configurations that could be leveraged for specialized functional applications.
Key Properties
Cross-validated computational properties for TiV3O8, 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 TiV3O8, 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 | 0.79 | 0.0579 | -8.939 | 3.75 |
| Cc (No. 9) | monoclinic | 0.86 | 0.0584 | -8.938 | 3.75 |
| Cc (No. 9) | monoclinic | 0.84 | 0.0586 | -8.938 | 3.75 |
| Cm (No. 8) | monoclinic | 0.42 | 0.0624 | -8.934 | 3.76 |
| Cm (No. 8) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 3.75 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.16 |
| P1 (No. 1) | Triclinic | — | — | — | 4.14 |
| P1 (No. 1) | Triclinic | — | — | — | 3.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.93 |
Applications
Where TiV3O8 is used.
Frequently Asked Questions
Common questions about TiV3O8, answered from cross-validated data.
What is TiV3O8?
TiV3O8 is a metastable semiconducting oxide containing titanium and vanadium that is studied for its diverse structural configurations.
What is TiV3O8 used for?
What is the band gap of TiV3O8?
Is TiV3O8 a metal, semiconductor, or insulator?
Is TiV3O8 thermodynamically stable?
What is the crystal structure of TiV3O8?
What is the density of TiV3O8?
How many polymorphs of TiV3O8 are known?
What elements does TiV3O8 contain?
Where does the data for TiV3O8 come from?
How It Compares
As a distinct ternary oxide, TiV3O8 occupies a specialized niche within the broader family of mixed-metal oxides. Without direct structural siblings, it stands as a unique representative of its specific stoichiometry, serving as a model for understanding how the interplay between titanium and vanadium cations influences the stability and semiconducting behavior of complex oxide lattices.
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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