VS4
vanadium tetrasulfide · patronite
VS4 is a stable, semiconducting vanadium sulfide that is widely studied for its potential utility in electrochemical energy storage devices.
About vanadium tetrasulfide
VS4, known mineralogically as patronite, is a thermodynamically stable sulfide that occupies a unique position in vanadium chemistry. As a semiconductor, it has garnered significant interest for its distinct chain-like crystal structure and potential for electronic applications.
Its stability on the convex hull makes it a robust candidate for research in energy storage systems. By leveraging its specific structural framework, scientists are exploring how this compound can facilitate ion transport and storage in next-generation battery technologies.
Key Properties
Cross-validated computational properties for vanadium tetrasulfide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of VS4. 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 VS4, 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. |
|---|---|---|---|---|---|
| — | — | 0.98 | 0.0000 | -0.766 | — |
| C2/c (No. 15) | monoclinic | 0.92 | 0.0000 | -6.078 | 2.67 |
| C2/c (No. 15) | monoclinic | 0.91 | 0.0000 | -0.609 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 2.83 |
| P1 (No. 1) | triclinic | — | — | — | 2.48 |
| P1 (No. 1) | triclinic | — | — | — | 2.88 |
| P1 (No. 1) | triclinic | — | — | — | 2.70 |
| Cm (No. 8) | monoclinic | — | — | — | 2.42 |
| Pm (No. 6) | monoclinic | — | — | — | 2.62 |
| Pm (No. 6) | monoclinic | — | — | — | 2.63 |
| Cm (No. 8) | monoclinic | — | — | — | 2.47 |
| Cm (No. 8) | monoclinic | — | — | — | 3.10 |
Applications
Where vanadium tetrasulfide is used.
Frequently Asked Questions
Common questions about vanadium tetrasulfide, answered from cross-validated data.
What is VS4?
VS4 is a stable, semiconducting vanadium sulfide that is widely studied for its potential utility in electrochemical energy storage devices.
What is VS4 used for?
What is the band gap of VS4?
Is VS4 a metal, semiconductor, or insulator?
Is VS4 thermodynamically stable?
What is the crystal structure of VS4?
What is the density of VS4?
How many polymorphs of VS4 are known?
What elements does VS4 contain?
Where does the data for VS4 come from?
How It Compares
As a naturally occurring and thermodynamically stable sulfide, VS4 serves as a benchmark for understanding the structural and electronic behavior of vanadium-based chalcogenides in energy-related research.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze VS4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →