TaVW2
TaVW2 is a semiconducting ternary transition metal compound that exists as a metastable phase.
About TaVW2
TaVW2 is a complex ternary compound composed of tantalum, vanadium, and tungsten. As a semiconducting material, it represents an interesting subject for researchers investigating the electronic properties of multi-element transition metal systems. Its existence is documented across multiple structural databases, reflecting ongoing interest in its potential configurations.
Because this compound resides above the thermodynamic hull, it is considered a metastable phase. This classification suggests that while it can be synthesized under specific conditions, it may require precise control over processing parameters to maintain its structural integrity compared to more stable, ground-state materials.
Key Properties
Cross-validated computational properties for TaVW2, 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 TaVW2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.20 | 5.1815 | -36.263 | 1.33 |
| — | — | — | — | — | 15.62 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 15.60 |
Applications
Where TaVW2 is used.
Frequently Asked Questions
Common questions about TaVW2, answered from cross-validated data.
What is TaVW2?
TaVW2 is a semiconducting ternary transition metal compound that exists as a metastable phase.
What is TaVW2 used for?
What is the band gap of TaVW2?
Is TaVW2 a metal, semiconductor, or insulator?
Is TaVW2 thermodynamically stable?
What is the crystal structure of TaVW2?
What is the density of TaVW2?
How many polymorphs of TaVW2 are known?
What elements does TaVW2 contain?
Where does the data for TaVW2 come from?
How It Compares
As a unique ternary combination of transition metals, TaVW2 occupies a niche space in materials research. Without direct siblings in this specific class, it serves as a distinct case study for how the interplay of tantalum, vanadium, and tungsten influences electronic behavior in metastable, non-equilibrium structures.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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