SiTc2W
This is a complex ternary inorganic compound composed of silicon, technetium, and tungsten. It is primarily studied in the context of materials science research to understand the structural properties and bonding characteristics of transition metal silicides.
Key Properties
Cross-validated computational properties for SiTc2W, 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.
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 SiTc2W, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -28.329 | 12.07 |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 9.73 |
| — | — | — | — | — | 11.86 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where SiTc2W is used.
Frequently Asked Questions
Common questions about SiTc2W, answered from cross-validated data.
What is SiTc2W?
This is a complex ternary inorganic compound composed of silicon, technetium, and tungsten. It is primarily studied in the context of materials science research to understand the structural properties and bonding characteristics of transition metal silicides.
What is SiTc2W used for?
What is the band gap of SiTc2W?
Is SiTc2W a metal, semiconductor, or insulator?
Is SiTc2W thermodynamically stable?
What is the crystal structure of SiTc2W?
What is the density of SiTc2W?
How many polymorphs of SiTc2W are known?
What elements does SiTc2W contain?
Where does the data for SiTc2W come from?
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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