TaSe2
Tantalum diselenide
Tantalum diselenide is a stable, layered transition-metal dichalcogenide that functions as a semiconductor and is widely studied for its complex structural properties.
About Tantalum diselenide
Tantalum diselenide is a prominent member of the transition-metal dichalcogenide family, characterized by its layered structure and semiconducting electronic nature. Its position on the convex hull confirms its thermodynamic stability, making it a reliable subject for fundamental research into low-dimensional materials.
Due to its rich structural polymorphism, this compound is highly valued in materials science for exploring charge density waves and electronic transport phenomena. It serves as a critical platform for investigating the interplay between lattice geometry and electronic states in layered chalcogenides.
Key Properties
Cross-validated computational properties for Tantalum diselenide, 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 TaSe2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -26.670 | 8.02 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0007 | -26.670 | 8.00 |
| R3m (No. 160) | trigonal | 0.00 | 0.0008 | -26.670 | 8.00 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0009 | -26.669 | 7.99 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0011 | -26.669 | 8.01 |
| P-1 (No. 2) | triclinic | 0.27 | 0.0080 | -26.662 | 7.99 |
| P63/m (No. 176) | hexagonal | 0.00 | 0.0093 | -26.661 | 7.82 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0124 | -26.658 | 8.11 |
| R3m (No. 160) | trigonal | 0.00 | 0.0126 | -26.658 | 8.05 |
| Fmm2 (No. 42) | orthorhombic | 0.00 | 0.0191 | -26.651 | 4.43 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0304 | -26.640 | 7.99 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0317 | -26.639 | 7.94 |
Applications
Where Tantalum diselenide is used.
Frequently Asked Questions
Common questions about Tantalum diselenide, answered from cross-validated data.
What is TaSe2?
Tantalum diselenide is a stable, layered transition-metal dichalcogenide that functions as a semiconductor and is widely studied for its complex structural properties.
What is TaSe2 used for?
What is the band gap of TaSe2?
Is TaSe2 a metal, semiconductor, or insulator?
Is TaSe2 thermodynamically stable?
What is the crystal structure of TaSe2?
What is the density of TaSe2?
How many polymorphs of TaSe2 are known?
What elements does TaSe2 contain?
Where does the data for TaSe2 come from?
How It Compares
Within the transition-metal dichalcogenides class.
While compounds like MoS2 and MoSe2 are widely recognized for their potential in optoelectronics, TaSe2 distinguishes itself through a higher degree of structural complexity and a broader range of observed phases. Unlike the more conventional semiconducting dichalcogenides, TaSe2 exhibits unique phase transitions that make it a distinct subject of study within the broader class.
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
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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