Mo3WS8
Mo3WS8 is a semiconducting ternary sulfide that is considered a viable target for experimental synthesis due to its thermodynamic proximity to the stability hull.
About Mo3WS8
Mo3WS8 is a complex ternary sulfide composed of molybdenum, tungsten, and sulfur. As a semiconducting material, it sits at the intersection of transition metal chalcogenide research, offering unique electronic properties derived from its specific atomic arrangement.
Because it is identified as a near-hull phase, this compound is considered a promising candidate for experimental synthesis. Its structural diversity, supported by multiple reported configurations, makes it a compelling subject for materials scientists investigating new functional inorganic solids.
Key Properties
Cross-validated computational properties for Mo3WS8, 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 Mo3WS8, 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 | 1.19 | 0.0035 | -17.097 | 3.97 |
| P3m1 (No. 156) | trigonal | 1.21 | 0.0035 | -17.097 | 3.97 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.83 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.96 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.87 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.83 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.96 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.87 |
| P3m1 (No. 156) | — | — | — | — | — |
Applications
Where Mo3WS8 is used.
Frequently Asked Questions
Common questions about Mo3WS8, answered from cross-validated data.
What is Mo3WS8?
Mo3WS8 is a semiconducting ternary sulfide that is considered a viable target for experimental synthesis due to its thermodynamic proximity to the stability hull.
What is Mo3WS8 used for?
What is the band gap of Mo3WS8?
Is Mo3WS8 a metal, semiconductor, or insulator?
Is Mo3WS8 thermodynamically stable?
What is the crystal structure of Mo3WS8?
What is the density of Mo3WS8?
How many polymorphs of Mo3WS8 are known?
What elements does Mo3WS8 contain?
Where does the data for Mo3WS8 come from?
How It Compares
As a specialized ternary sulfide, Mo3WS8 represents a distinct configuration within the broader family of transition metal chalcogenides. While many binary sulfides are well-characterized, this compound occupies a unique niche, serving as an important model for understanding how alloying molybdenum and tungsten within a sulfur framework influences electronic behavior.
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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