MoW3Se8
MoW3Se8 is a metastable, semiconducting ternary chalcogenide material containing molybdenum, tungsten, and selenium.
About MoW3Se8
MoW3Se8 is a complex ternary chalcogenide composed of molybdenum, tungsten, and selenium. As a semiconducting material, it occupies a specialized niche in inorganic chemistry, characterized by its intricate structural arrangements and electronic behavior.
This compound is recognized as a metastable phase, which makes it a subject of significant interest for researchers investigating phase stability and synthesis pathways. Its existence across multiple reported structures highlights its structural versatility and potential for tuning properties in electronic and optoelectronic applications.
Key Properties
Cross-validated computational properties for MoW3Se8, 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 MoW3Se8, 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 | 1.15 | 0.0631 | -25.133 | 5.86 |
| P3m1 (No. 156) | trigonal | 1.16 | 0.0632 | -25.133 | 5.87 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.87 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.11 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.95 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.86 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.12 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.94 |
Applications
Where MoW3Se8 is used.
Frequently Asked Questions
Common questions about MoW3Se8, answered from cross-validated data.
What is MoW3Se8?
MoW3Se8 is a metastable, semiconducting ternary chalcogenide material containing molybdenum, tungsten, and selenium.
What is MoW3Se8 used for?
What is the band gap of MoW3Se8?
Is MoW3Se8 a metal, semiconductor, or insulator?
Is MoW3Se8 thermodynamically stable?
What is the crystal structure of MoW3Se8?
What is the density of MoW3Se8?
How many polymorphs of MoW3Se8 are known?
What elements does MoW3Se8 contain?
Where does the data for MoW3Se8 come from?
How It Compares
As a unique ternary chalcogenide, MoW3Se8 represents a distinct structural motif within the broader landscape of metal-selenium systems. Without direct structural siblings in this specific grouping, it stands as a specialized example of how mixing transition metals can yield complex, metastable semiconducting architectures.
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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