SiW3
This is a binary intermetallic compound composed of silicon and tungsten. It is primarily studied in the context of materials science research for its structural properties and potential behavior in high-temperature environments.
Overview
Key Properties
Cross-validated computational properties for SiW3, 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.
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.
1.469 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
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
103
4 databases, 22 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiW3, 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. |
|---|---|---|---|---|---|
| Im-3m (No. 229) | cubic | 0.00 | 1.4688 | -39.363 | 13.59 |
| P3m1 (No. 156) | Trigonal | — | — | — | 15.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 15.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 17.04 |
| P1 (No. 1) | Triclinic | — | — | — | 13.74 |
| P1 (No. 1) | Triclinic | — | — | — | 12.62 |
| P2 (No. 3) | Monoclinic | — | — | — | 13.12 |
| — | — | — | — | — | 15.64 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 14.08 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 16.39 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 15.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.48 |
Uses
Applications
Where SiW3 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about SiW3, answered from cross-validated data.
What is SiW3?
This is a binary intermetallic compound composed of silicon and tungsten. It is primarily studied in the context of materials science research for its structural properties and potential behavior in high-temperature environments.
More questions
What is SiW3 used for?
SiW3 is used in materials science research and solid-state chemistry studies.
What is the band gap of SiW3?
SiW3 is computed to be metallic (no band gap) in the reported DFT structures.
Is SiW3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is SiW3 thermodynamically stable?
SiW3 has a lowest energy above hull of 1.469 eV/atom (above hull).
What is the crystal structure of SiW3?
The lowest-energy reported polymorph of SiW3 is cubic symmetry, space group Im-3m (No. 229).
What is the density of SiW3?
The computed density of the ground-state structure of SiW3 is 13.59 g/cm³.
How many polymorphs of SiW3 are known?
103 structures of SiW3 are reported across 4 databases, spanning 22 distinct space groups.
What elements does SiW3 contain?
SiW3 contains Si and W (2 elements).
Where does the data for SiW3 come from?
SiW3 data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Explore
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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