FeSiW
FeSiW is a metastable, semimetallic ternary compound composed of iron, silicon, and tungsten.
About FeSiW
FeSiW is a complex ternary compound characterized by a near-zero-gap electronic structure, placing it in the category of semimetallic materials. Its metastable nature makes it a subject of significant interest for researchers investigating phase stability and structural transformations in transition metal silicides. The compound has been documented across multiple databases, reflecting its presence in various experimental and theoretical structural configurations. Its unique electronic properties suggest potential utility in specialized electronic or spintronic applications where semimetallic behavior is advantageous. As a metastable phase, it represents a delicate balance of atomic interactions that provides insight into the broader landscape of ternary silicide chemistry.
Key Properties
Cross-validated computational properties for FeSiW, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of FeSiW. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for FeSiW, 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 | 0.32 | 0.0000 | -0.488 | — |
| — | — | 0.00 | 0.0102 | -0.333 | — |
| F-43m (No. 216) | cubic | 0.06 | 0.0129 | -9.256 | 10.42 |
| — | — | 0.00 | 0.0325 | -0.310 | — |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0596 | -9.209 | 11.70 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0771 | -9.191 | 11.81 |
| — | — | 0.00 | 0.6880 | 0.345 | — |
| — | — | 0.00 | 0.7481 | 0.405 | — |
| P-1 (No. 2) | triclinic | — | — | — | 7.58 |
| P21/m (No. 11) | monoclinic | — | — | — | 7.47 |
| C2/m (No. 12) | monoclinic | — | — | — | 9.67 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 11.93 |
Applications
Where FeSiW is used.
Frequently Asked Questions
Common questions about FeSiW, answered from cross-validated data.
What is FeSiW?
FeSiW is a metastable, semimetallic ternary compound composed of iron, silicon, and tungsten.
What is FeSiW used for?
What is the band gap of FeSiW?
Is FeSiW a metal, semiconductor, or insulator?
Is FeSiW thermodynamically stable?
What is the crystal structure of FeSiW?
What is the density of FeSiW?
How many polymorphs of FeSiW are known?
What elements does FeSiW contain?
Where does the data for FeSiW come from?
How It Compares
As a ternary silicide with a semimetallic electronic profile, FeSiW occupies a distinct niche in materials science. While many transition metal silicides are known for their robust stability, this compound is notable for its metastable state, which distinguishes it from more common, highly stable binary or ternary silicide phases.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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