Si2W3
Tungsten silicide is a chemical compound composed of tungsten and silicon. It is primarily utilized in the semiconductor industry as a contact material and for forming conductive layers in integrated circuits.
Overview
Key Properties
Cross-validated computational properties for Si2W3, aggregated across 5 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.
Metallic / not reported
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.
0.238 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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
62
5 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Si2W3, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.2381 | -34.272 | 13.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.21 |
| C222 (No. 21) | Orthorhombic | — | — | — | 11.14 |
| P-3m1 (No. 164) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 8.70 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.60 |
| C2 (No. 5) | Monoclinic | — | — | — | 9.97 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 14.91 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 15.92 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 12.50 |
| R32 (No. 155) | Trigonal | — | — | — | 14.05 |
| R32 (No. 155) | Trigonal | — | — | — | 12.07 |
Uses
Applications
Where Si2W3 is used.
Semiconductor manufacturingIntegrated circuit fabricationMicroelectronic components
Reference
Frequently Asked Questions
Common questions about Si2W3, answered from cross-validated data.
What is Si2W3?
Tungsten silicide is a chemical compound composed of tungsten and silicon. It is primarily utilized in the semiconductor industry as a contact material and for forming conductive layers in integrated circuits.
More questions
What is Si2W3 used for?
Si2W3 is used in semiconductor manufacturing, integrated circuit fabrication, and microelectronic components.
What is the band gap of Si2W3?
Si2W3 is computed to be metallic (no band gap) in the reported DFT structures.
Is Si2W3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Si2W3 thermodynamically stable?
Si2W3 has a lowest energy above hull of 0.238 eV/atom (above hull).
What is the crystal structure of Si2W3?
The lowest-energy reported polymorph of Si2W3 is tetragonal symmetry, space group P4/mbm (No. 127).
What is the density of Si2W3?
The computed density of the ground-state structure of Si2W3 is 13.79 g/cm³.
How many polymorphs of Si2W3 are known?
62 structures of Si2W3 are reported across 5 databases, spanning 16 distinct space groups.
What elements does Si2W3 contain?
Si2W3 contains Si and W (2 elements).
Where does the data for Si2W3 come from?
Si2W3 data is cross-referenced from materials_project, mpaloe, aflow, omat24.
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Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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