HW
Tungsten hydride is a chemical compound composed of hydrogen and tungsten. It is primarily studied in the context of high-pressure physics and materials science research to understand the behavior of metal-hydrogen systems.
HW
Overview
Key Properties
Cross-validated computational properties for HW, 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.
0.161 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.
436
4 databases, 35 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HW, 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 | 0.1611 | -27.250 | 17.11 |
| P21/m (No. 11) | Monoclinic | — | — | — | 11.28 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 15.53 |
| P2/m (No. 10) | Monoclinic | — | — | — | 15.17 |
| P2/m (No. 10) | Monoclinic | — | — | — | 15.24 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 15.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 16.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.62 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 15.78 |
Uses
Applications
Where HW is used.
High-pressure physics researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about HW, answered from cross-validated data.
What is HW?
Tungsten hydride is a chemical compound composed of hydrogen and tungsten. It is primarily studied in the context of high-pressure physics and materials science research to understand the behavior of metal-hydrogen systems.
More questions
What is HW used for?
HW is used in high-pressure physics research and materials science studies.
What is the band gap of HW?
HW is computed to be metallic (no band gap) in the reported DFT structures.
Is HW a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HW thermodynamically stable?
HW has a lowest energy above hull of 0.161 eV/atom (above hull).
What is the crystal structure of HW?
The lowest-energy reported polymorph of HW is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of HW?
The computed density of the ground-state structure of HW is 17.11 g/cm³.
How many polymorphs of HW are known?
436 structures of HW are reported across 4 databases, spanning 35 distinct space groups.
What elements does HW contain?
HW contains H and W (2 elements).
Where does the data for HW come from?
HW data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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