Mo3WSe8
This compound is a transition metal dichalcogenide alloy composed of molybdenum, tungsten, and selenium. It is primarily studied for its unique electronic and structural properties in the field of condensed matter physics and materials science.
MoSeW
Overview
Key Properties
Cross-validated computational properties for Mo3WSe8, 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.
1.18–1.25 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.
0.063 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Mo3WSe8, 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 | 1.18 | 0.0630 | -20.990 | 5.06 |
| P3m1 (No. 156) | trigonal | 1.25 | 0.0631 | -20.990 | 5.06 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.06 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.06 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.13 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.27 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.13 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.27 |
| P3m1 (No. 156) | — | — | — | — | — |
Uses
Applications
Where Mo3WSe8 is used.
Semiconductor researchNanotechnology developmentCatalysis studiesOptoelectronic material investigation
Reference
Frequently Asked Questions
Common questions about Mo3WSe8, answered from cross-validated data.
What is Mo3WSe8?
This compound is a transition metal dichalcogenide alloy composed of molybdenum, tungsten, and selenium. It is primarily studied for its unique electronic and structural properties in the field of condensed matter physics and materials science.
More questions
What is Mo3WSe8 used for?
Mo3WSe8 is used in semiconductor research, nanotechnology development, catalysis studies, and optoelectronic material investigation.
What is the band gap of Mo3WSe8?
Mo3WSe8 has a DFT-computed band gap of 1.18–1.25 eV across 10 reported structures.
Is Mo3WSe8 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is Mo3WSe8 thermodynamically stable?
Mo3WSe8 has a lowest energy above hull of 0.063 eV/atom (metastable).
What is the crystal structure of Mo3WSe8?
The lowest-energy reported polymorph of Mo3WSe8 is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Mo3WSe8?
The computed density of the ground-state structure of Mo3WSe8 is 5.06 g/cm³.
How many polymorphs of Mo3WSe8 are known?
10 structures of Mo3WSe8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Mo3WSe8 contain?
Mo3WSe8 contains Mo, Se, and W (3 elements).
Where does the data for Mo3WSe8 come from?
Mo3WSe8 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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