MoW3S8
MoW3S8 is a semiconducting ternary sulfide compound that is theoretically predicted to be stable enough for laboratory synthesis.
About MoW3S8
MoW3S8 is a complex ternary sulfide composed of molybdenum, tungsten, and sulfur. As a semiconducting material, it occupies a unique position in solid-state chemistry, characterized by its electronic properties that bridge the gap between metallic and insulating behaviors.
Its status as a near-hull compound suggests that it is likely synthesizable under appropriate laboratory conditions. The existence of multiple reported structures across various databases highlights its significance as an intriguing subject for structural characterization and materials discovery.
Key Properties
Cross-validated computational properties for MoW3S8, 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.
Reported Structures
Lowest-energy structures reported for MoW3S8, 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 | 1.22 | 0.0036 | -21.271 | 4.93 |
| P3m1 (No. 156) | trigonal | 1.26 | 0.0036 | -21.271 | 4.89 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.75 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.92 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.75 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.80 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.92 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.80 |
Applications
Where MoW3S8 is used.
Frequently Asked Questions
Common questions about MoW3S8, answered from cross-validated data.
What is MoW3S8?
MoW3S8 is a semiconducting ternary sulfide compound that is theoretically predicted to be stable enough for laboratory synthesis.
What is MoW3S8 used for?
What is the band gap of MoW3S8?
Is MoW3S8 a metal, semiconductor, or insulator?
Is MoW3S8 thermodynamically stable?
What is the crystal structure of MoW3S8?
What is the density of MoW3S8?
How many polymorphs of MoW3S8 are known?
What elements does MoW3S8 contain?
Where does the data for MoW3S8 come from?
How It Compares
As a ternary sulfide, MoW3S8 represents a specialized class of transition metal chalcogenides. While it currently stands as a unique entry without direct siblings in this specific dataset, it serves as a critical example of how mixing molybdenum and tungsten within a sulfur framework can yield stable, semiconducting architectures that warrant further experimental investigation.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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