TiVO4
TiVO4 is a metastable semiconducting oxide of titanium and vanadium known for its significant structural diversity.
About TiVO4
TiVO4 is a complex oxide composed of titanium, vanadium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxide systems with tunable conductivity.
Despite its metastable nature, the compound is characterized by a high degree of structural variety, as evidenced by numerous reported configurations in crystallographic databases. This structural flexibility suggests potential for specialized applications where specific lattice arrangements are required for performance.
Key Properties
Cross-validated computational properties for TiVO4, aggregated across 4 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 TiVO4, 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. |
|---|---|---|---|---|---|
| C2221 (No. 20) | orthorhombic | 0.72 | 0.0470 | -9.097 | 3.86 |
| P1 (No. 1) | triclinic | 0.85 | 0.0497 | -9.094 | 3.86 |
| Cm (No. 8) | monoclinic | 1.56 | 0.0505 | -9.093 | 3.85 |
| Pm (No. 6) | monoclinic | 1.36 | 0.0507 | -9.093 | 3.85 |
| Pmn21 (No. 31) | orthorhombic | 1.52 | 0.0515 | -9.092 | 3.85 |
| I41md (No. 109) | tetragonal | 1.18 | 0.0546 | -9.089 | 4.29 |
| Cmmm (No. 65) | orthorhombic | 0.99 | 0.0572 | -9.087 | 4.29 |
| Imm2 (No. 44) | orthorhombic | 0.36 | 0.0600 | -9.084 | 3.87 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0660 | -9.078 | 3.89 |
| P21/c (No. 14) | monoclinic | 1.26 | 0.0774 | -9.066 | 4.06 |
| I-42d (No. 122) | tetragonal | 0.67 | 0.0902 | -9.054 | 3.85 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.17 |
Applications
Where TiVO4 is used.
Frequently Asked Questions
Common questions about TiVO4, answered from cross-validated data.
What is TiVO4?
TiVO4 is a metastable semiconducting oxide of titanium and vanadium known for its significant structural diversity.
What is TiVO4 used for?
What is the band gap of TiVO4?
Is TiVO4 a metal, semiconductor, or insulator?
Is TiVO4 thermodynamically stable?
What is the crystal structure of TiVO4?
What is the density of TiVO4?
How many polymorphs of TiVO4 are known?
What elements does TiVO4 contain?
Where does the data for TiVO4 come from?
How It Compares
As a unique transition metal oxide, TiVO4 occupies a distinct niche in materials science research. While many binary and ternary oxides are highly stable, the metastability of this compound allows for the exploration of non-equilibrium phases that may offer functional advantages over more conventional, thermodynamically stable ceramic materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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