NbS
NbS is a metastable, metallic transition-metal dichalcogenide that is frequently studied for its complex structural diversity and conductive properties.
About NbS
NbS is a transition-metal dichalcogenide characterized by its metallic electronic nature. As a metastable phase, it represents a complex structural arrangement that distinguishes it from more common, stable semiconductor variants within the same family. Its existence is supported by a wealth of structural data across multiple databases, reflecting significant interest in its fundamental properties. This compound serves as a subject of study for those exploring the limits of phase stability and electronic behavior in low-dimensional materials. Its metallic character makes it particularly intriguing for research into conductive thin-film architectures and potential electronic applications where high carrier density is required.
Key Properties
Cross-validated computational properties for NbS, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbS. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NbS, 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 | 0.0657 | -8.272 | 6.56 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0828 | -8.255 | 6.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.90 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 4.30 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.25 |
| P1 (No. 1) | Triclinic | — | — | — | 5.24 |
| P1 (No. 1) | Triclinic | — | — | — | 5.17 |
| P1 (No. 1) | Triclinic | — | — | — | 3.48 |
| P1 (No. 1) | Triclinic | — | — | — | 5.15 |
| P1 (No. 1) | Triclinic | — | — | — | 4.63 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.38 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.01 |
Applications
Where NbS is used.
Frequently Asked Questions
Common questions about NbS, answered from cross-validated data.
What is NbS?
NbS is a metastable, metallic transition-metal dichalcogenide that is frequently studied for its complex structural diversity and conductive properties.
What is NbS used for?
What is the band gap of NbS?
Is NbS a metal, semiconductor, or insulator?
Is NbS thermodynamically stable?
What is the crystal structure of NbS?
What is the density of NbS?
How many polymorphs of NbS are known?
What elements does NbS contain?
Where does the data for NbS come from?
How It Compares
Within the transition-metal dichalcogenides class.
Unlike the widely utilized semiconductor MoS2, which is celebrated for its stable layered structure and distinct band gap, NbS is defined by its metallic state and metastable nature. While materials like MoSe2 and ReS2 are often studied for their optoelectronic properties, NbS occupies a different niche, serving as a metallic counterpart that challenges standard expectations for dichalcogenide behavior.
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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