Si3W
Si3W is a metallic, silicon-rich binary compound that is currently classified as a thermodynamically unstable phase within the silicon anode materials family.
About Si3W
Si3W is a metallic compound composed of silicon and tungsten, categorized within the broader family of silicon anode materials. Its electronic nature is defined by a lack of a band gap, identifying it as a metallic conductor rather than a semiconductor.
Despite its inclusion in the silicon anode class, the material is characterized as being above the hull, suggesting it is thermodynamically unstable under standard conditions. It remains a subject of interest in materials informatics due to the significant number of reported structural variations documented across multiple databases.
Key Properties
Cross-validated computational properties for Si3W, 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 Si3W, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.7133 | -18.934 | 7.76 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.86 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.02 |
| P1 (No. 1) | Triclinic | — | — | — | 5.82 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.34 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.49 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.92 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.65 |
| — | — | — | — | — | 7.34 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.69 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.78 |
Applications
Where Si3W is used.
Frequently Asked Questions
Common questions about Si3W, answered from cross-validated data.
What is Si3W?
Si3W is a metallic, silicon-rich binary compound that is currently classified as a thermodynamically unstable phase within the silicon anode materials family.
What is Si3W used for?
What is the band gap of Si3W?
Is Si3W a metal, semiconductor, or insulator?
Is Si3W thermodynamically stable?
What is the crystal structure of Si3W?
What is the density of Si3W?
How many polymorphs of Si3W are known?
What elements does Si3W contain?
Where does the data for Si3W come from?
How It Compares
Within the silicon anode materials class.
Within the silicon anode material class, Si3W stands out as a metallic, potentially unstable phase compared to more conventional and thermodynamically stable members like FeSi or Mg2Si. While materials such as pure Si are foundational to anode technology, Si3W represents a more complex, less stable binary arrangement that contrasts with the robust, well-studied nature of MoSi2 or BaSi2.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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