NbS6
NbS6 is a semimetallic transition-metal dichalcogenide that exists as a metastable phase within the broader family of metal-sulfur compounds.
About NbS6
NbS6 is a transition-metal dichalcogenide characterized by its near-zero-gap electronic structure, placing it in the semimetallic regime. As a material that sits above the thermodynamic hull, it represents a metastable phase of interest for researchers studying structural diversity in metal-sulfur systems.
Its existence is documented through a significant number of reported structures, highlighting the complexity of its bonding landscape. While it shares the fundamental elemental composition of other transition-metal dichalcogenides, its unique stoichiometry distinguishes it from more common, stable binary phases.
Key Properties
Cross-validated computational properties for NbS6, aggregated across 2 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 NbS6, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.06 | 1.3409 | -4.305 | 0.12 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.16 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.82 |
| P31m (No. 157) | Trigonal | — | — | — | 3.83 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.12 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.18 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.21 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.78 |
| P1 (No. 1) | Triclinic | — | — | — | 3.38 |
| P1 (No. 1) | Triclinic | — | — | — | 3.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.69 |
Applications
Where NbS6 is used.
Frequently Asked Questions
Common questions about NbS6, answered from cross-validated data.
What is NbS6?
NbS6 is a semimetallic transition-metal dichalcogenide that exists as a metastable phase within the broader family of metal-sulfur compounds.
What is NbS6 used for?
What is the band gap of NbS6?
Is NbS6 a metal, semiconductor, or insulator?
Is NbS6 thermodynamically stable?
What is the crystal structure of NbS6?
What is the density of NbS6?
How many polymorphs of NbS6 are known?
What elements does NbS6 contain?
Where does the data for NbS6 come from?
How It Compares
Within the transition-metal dichalcogenides class.
Unlike the highly stable and widely utilized MoS2, which is a staple in semiconductor research, NbS6 is a metastable compound that presents a different set of synthetic challenges. While siblings like ReS2 and MoSe2 are frequently studied for their robust layered structures, NbS6 remains a more niche subject within the class due to its position above the thermodynamic hull.
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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