Ru3W
This material is a metallic intermetallic compound composed of ruthenium and tungsten. It is primarily studied for its structural properties and potential applications in specialized metallurgical research.
Overview
Key Properties
Cross-validated computational properties for Ru3W, 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.
62
4 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ru3W, 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 | -31.954 | 14.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.57 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 11.12 |
| P4mm (No. 99) | Tetragonal | — | — | — | 16.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.75 |
| P-1 (No. 2) | Triclinic | — | — | — | 14.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 12.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.73 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.02 |
Uses
Applications
Where Ru3W is used.
Materials science researchCatalysis studiesHigh-temperature alloy development
Reference
Frequently Asked Questions
Common questions about Ru3W, answered from cross-validated data.
What is Ru3W?
This material is a metallic intermetallic compound composed of ruthenium and tungsten. It is primarily studied for its structural properties and potential applications in specialized metallurgical research.
More questions
What is Ru3W used for?
Ru3W is used in materials science research, catalysis studies, and high-temperature alloy development.
What is the band gap of Ru3W?
Ru3W is computed to be metallic (no band gap) in the reported DFT structures.
Is Ru3W a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ru3W thermodynamically stable?
Yes — Ru3W sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ru3W?
The lowest-energy reported polymorph of Ru3W is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Ru3W?
The computed density of the ground-state structure of Ru3W is 14.33 g/cm³.
How many polymorphs of Ru3W are known?
62 structures of Ru3W are reported across 4 databases, spanning 14 distinct space groups.
What elements does Ru3W contain?
Ru3W contains Ru and W (2 elements).
Where does the data for Ru3W come from?
Ru3W data is cross-referenced from materials_project, mpaloe, omat24.
Explore
Related Compounds
Other Platinum-Group Alloy Catalysts 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).
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