H2W
This compound is a binary hydride of tungsten. It is primarily studied in the context of fundamental inorganic chemistry and materials science research regarding metal-hydrogen systems.
HW
Overview
Key Properties
Cross-validated computational properties for H2W, 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.
0.180 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.
181
4 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H2W, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1801 | -19.246 | 14.61 |
| P1 (No. 1) | Triclinic | — | — | — | 9.18 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.20 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.25 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.48 |
| P2/m (No. 10) | Monoclinic | — | — | — | 10.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.79 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.87 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 13.44 |
| R-3m (No. 166) | Trigonal | — | — | — | 8.67 |
| R-3m (No. 166) | Trigonal | — | — | — | 8.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 11.05 |
Uses
Applications
Where H2W is used.
Scientific researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about H2W, answered from cross-validated data.
What is H2W?
This compound is a binary hydride of tungsten. It is primarily studied in the context of fundamental inorganic chemistry and materials science research regarding metal-hydrogen systems.
More questions
What is H2W used for?
H2W is used in scientific research and materials science studies.
What is the band gap of H2W?
H2W is computed to be metallic (no band gap) in the reported DFT structures.
Is H2W a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is H2W thermodynamically stable?
H2W has a lowest energy above hull of 0.180 eV/atom (above hull).
What is the crystal structure of H2W?
The lowest-energy reported polymorph of H2W is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of H2W?
The computed density of the ground-state structure of H2W is 14.61 g/cm³.
How many polymorphs of H2W are known?
181 structures of H2W are reported across 4 databases, spanning 23 distinct space groups.
What elements does H2W contain?
H2W contains H and W (2 elements).
Where does the data for H2W come from?
H2W 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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