TcS2
TcS2 is a stable, semiconducting transition metal dichalcogenide that is widely documented for its diverse structural configurations.
About TcS2
TcS2 is a semiconducting transition metal dichalcogenide that occupies a stable position on the convex hull. Its structural integrity and electronic nature make it a compelling subject for materials science research, particularly in the study of layered chalcogenide systems.
With a high degree of structural diversity reported across multiple databases, this compound serves as a significant reference point for understanding technetium-based chemistry. Its stability suggests potential for synthesis and integration into advanced functional material frameworks.
Key Properties
Cross-validated computational properties for TcS2, 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 TcS2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.19 | 0.0000 | -14.737 | 4.69 |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.72 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.84 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.40 |
| P-1 (No. 2) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.28 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.10 |
| P1 (No. 1) | Triclinic | — | — | — | 4.15 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.22 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.35 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.52 |
Applications
Where TcS2 is used.
Frequently Asked Questions
Common questions about TcS2, answered from cross-validated data.
What is TcS2?
TcS2 is a stable, semiconducting transition metal dichalcogenide that is widely documented for its diverse structural configurations.
What is TcS2 used for?
What is the band gap of TcS2?
Is TcS2 a metal, semiconductor, or insulator?
Is TcS2 thermodynamically stable?
What is the crystal structure of TcS2?
What is the density of TcS2?
How many polymorphs of TcS2 are known?
What elements does TcS2 contain?
Where does the data for TcS2 come from?
How It Compares
As a thermodynamically stable member of the transition metal dichalcogenide family, TcS2 represents a unique structural archetype. While it shares the general stoichiometry of common dichalcogenides, its specific electronic character and the distinct chemistry of technetium set it apart as a specialized material within the broader class of layered semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze TcS2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →