MoWSe3S
MoWSe3S is a metastable semiconducting alloy containing molybdenum, tungsten, selenium, and sulfur.
About MoWSe3S
MoWSe3S is a complex transition metal dichalcogenide alloy composed of molybdenum, tungsten, sulfur, and selenium. As a semiconducting material, it represents a synthetic approach to tuning electronic properties by mixing different chalcogen species and metal centers within a layered framework.
This compound exists in a metastable state, making it a subject of interest for fundamental materials research. Its structural diversity, reflected in multiple reported configurations, highlights the flexibility of these mixed-anion systems for future electronic and sensing technologies.
Key Properties
Cross-validated computational properties for MoWSe3S, 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 MoWSe3S, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.60 | 0.0955 | -22.053 | 5.13 |
| P3m1 (No. 156) | trigonal | 0.63 | 0.0956 | -22.053 | 5.22 |
| P3m1 (No. 156) | trigonal | 0.66 | 0.0957 | -22.052 | 5.21 |
| P3m1 (No. 156) | trigonal | 0.68 | 0.0958 | -22.052 | 5.22 |
| P3m1 (No. 156) | trigonal | 0.83 | 0.0960 | -22.052 | 5.22 |
| P3m1 (No. 156) | trigonal | 0.66 | 0.0961 | -22.052 | 5.21 |
| P3m1 (No. 156) | trigonal | 0.34 | 0.1122 | -22.036 | 5.19 |
| P3m1 (No. 156) | trigonal | 0.34 | 0.1123 | -22.036 | 5.21 |
| P3m1 (No. 156) | trigonal | 0.31 | 0.1125 | -22.036 | 5.19 |
| P3m1 (No. 156) | trigonal | 0.31 | 0.1125 | -22.036 | 5.19 |
| P3m1 (No. 156) | trigonal | 0.31 | 0.1126 | -22.036 | 5.19 |
| P3m1 (No. 156) | trigonal | 0.31 | 0.1127 | -22.036 | 5.26 |
Applications
Where MoWSe3S is used.
Frequently Asked Questions
Common questions about MoWSe3S, answered from cross-validated data.
What is MoWSe3S?
MoWSe3S is a metastable semiconducting alloy containing molybdenum, tungsten, selenium, and sulfur.
What is MoWSe3S used for?
What is the band gap of MoWSe3S?
Is MoWSe3S a metal, semiconductor, or insulator?
Is MoWSe3S thermodynamically stable?
What is the crystal structure of MoWSe3S?
What is the density of MoWSe3S?
How many polymorphs of MoWSe3S are known?
What elements does MoWSe3S contain?
Where does the data for MoWSe3S come from?
How It Compares
As a unique quaternary alloy, MoWSe3S serves as a specialized member of the broader family of transition metal dichalcogenides. It occupies a distinct niche where the interplay between molybdenum and tungsten sites, combined with mixed sulfur and selenium anions, allows for the exploration of electronic band structures that are not accessible in pure binary compounds.
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).
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