Fe2W
This intermetallic compound is a binary phase composed of iron and tungsten. It is primarily studied for its structural properties and its role in the development of high-performance alloys and specialized metallic materials.
FeW
Overview
Key Properties
Cross-validated computational properties for Fe2W, 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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
64
4 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Fe2W, 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 | 0.0000 | -9.989 | 13.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.92 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 12.58 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 12.59 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.16 |
| P3m1 (No. 156) | Trigonal | — | — | — | 9.98 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.65 |
| C2/c (No. 15) | Monoclinic | — | — | — | 9.63 |
| C2/c (No. 15) | Monoclinic | — | — | — | 11.41 |
| C2/c (No. 15) | Monoclinic | — | — | — | 10.81 |
| P1 (No. 1) | Triclinic | — | — | — | 8.35 |
| P21/m (No. 11) | Monoclinic | — | — | — | 12.51 |
Uses
Applications
Where Fe2W is used.
Metallurgical researchAlloy developmentMaterials science studies
Reference
Frequently Asked Questions
Common questions about Fe2W, answered from cross-validated data.
What is Fe2W?
This intermetallic compound is a binary phase composed of iron and tungsten. It is primarily studied for its structural properties and its role in the development of high-performance alloys and specialized metallic materials.
More questions
What is Fe2W used for?
Fe2W is used in metallurgical research, alloy development, and materials science studies.
What is the band gap of Fe2W?
Fe2W is computed to be metallic (no band gap) in the reported DFT structures.
Is Fe2W a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Fe2W thermodynamically stable?
Yes — Fe2W sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Fe2W?
The lowest-energy reported polymorph of Fe2W is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Fe2W?
The computed density of the ground-state structure of Fe2W is 13.19 g/cm³.
How many polymorphs of Fe2W are known?
64 structures of Fe2W are reported across 4 databases, spanning 16 distinct space groups.
What elements does Fe2W contain?
Fe2W contains Fe and W (2 elements).
Where does the data for Fe2W come from?
Fe2W data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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