V2S5
Vanadium pentasulfide is a transition metal chalcogenide known for its layered structure. It is primarily investigated for its potential as an electrode material in advanced energy storage devices.
SV
Overview
Key Properties
Cross-validated computational properties for V2S5, 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.
0.46 eV
Range across DFT structures
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.
0.254 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V2S5, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.46 | 0.2535 | -6.409 | 2.23 |
| P21 (No. 4) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.68 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.98 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.91 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.77 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.68 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.96 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.67 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
Uses
Applications
Where V2S5 is used.
Lithium-ion battery cathodesSupercapacitor electrodesElectrochemical research
Reference
Frequently Asked Questions
Common questions about V2S5, answered from cross-validated data.
What is V2S5?
Vanadium pentasulfide is a transition metal chalcogenide known for its layered structure. It is primarily investigated for its potential as an electrode material in advanced energy storage devices.
More questions
What is V2S5 used for?
V2S5 is used in lithium-ion battery cathodes, supercapacitor electrodes, and electrochemical research.
What is the band gap of V2S5?
V2S5 has a DFT-computed band gap of 0.46 eV across 14 reported structures.
Is V2S5 a metal, semiconductor, or insulator?
With a band gap up to 0.46 eV it is a semiconductor.
Is V2S5 thermodynamically stable?
V2S5 has a lowest energy above hull of 0.254 eV/atom (above hull).
What is the crystal structure of V2S5?
The lowest-energy reported polymorph of V2S5 is orthorhombic symmetry, space group Pmmn (No. 59).
What is the density of V2S5?
The computed density of the ground-state structure of V2S5 is 2.23 g/cm³.
How many polymorphs of V2S5 are known?
14 structures of V2S5 are reported across 3 databases, spanning 7 distinct space groups.
What elements does V2S5 contain?
V2S5 contains S and V (2 elements).
Where does the data for V2S5 come from?
V2S5 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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