MoSI
Molybdenum sulfur iodide is a low-dimensional inorganic material characterized by its unique chain-like crystal structure. It is primarily studied for its potential in nanotechnology and electronic applications due to its distinct physical properties.
Key Properties
Cross-validated computational properties for MoSI, aggregated across 4 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 MoSI, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.91 | 0.0229 | -6.402 | 5.85 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1212 | -5.034 | 4.46 |
| No. 0 | unknown | — | — | — | 1.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.90 |
| F-43m (No. 216) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.59 |
Applications
Where MoSI is used.
Frequently Asked Questions
Common questions about MoSI, answered from cross-validated data.
What is MoSI?
Molybdenum sulfur iodide is a low-dimensional inorganic material characterized by its unique chain-like crystal structure. It is primarily studied for its potential in nanotechnology and electronic applications due to its distinct physical properties.
What is MoSI used for?
What is the band gap of MoSI?
Is MoSI a metal, semiconductor, or insulator?
Is MoSI thermodynamically stable?
What is the crystal structure of MoSI?
What is the density of MoSI?
How many polymorphs of MoSI are known?
What elements does MoSI contain?
Where does the data for MoSI come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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