H4W
This compound is a hydride of tungsten, representing a chemical combination of hydrogen and tungsten atoms. It is primarily studied in the context of fundamental inorganic chemistry and high-pressure physics research.
HW
Overview
Key Properties
Cross-validated computational properties for H4W, aggregated across 3 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.
0.03 eV
Range across DFT structures
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.
0.150 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
20
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H4W, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.03 | 0.1497 | -12.888 | 9.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.16 |
| — | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 10.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.72 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.95 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.65 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.99 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.66 |
| Cm (No. 8) | Monoclinic | — | — | — | 13.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.87 |
Uses
Applications
Where H4W is used.
Fundamental materials science researchHigh-pressure physics studies
Reference
Frequently Asked Questions
Common questions about H4W, answered from cross-validated data.
What is H4W?
This compound is a hydride of tungsten, representing a chemical combination of hydrogen and tungsten atoms. It is primarily studied in the context of fundamental inorganic chemistry and high-pressure physics research.
More questions
What is H4W used for?
H4W is used in fundamental materials science research and high-pressure physics studies.
What is the band gap of H4W?
H4W has a DFT-computed band gap of 0.03 eV across 20 reported structures.
Is H4W a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is H4W thermodynamically stable?
H4W has a lowest energy above hull of 0.150 eV/atom (above hull).
What is the crystal structure of H4W?
The lowest-energy reported polymorph of H4W is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of H4W?
The computed density of the ground-state structure of H4W is 9.43 g/cm³.
How many polymorphs of H4W are known?
20 structures of H4W are reported across 3 databases, spanning 6 distinct space groups.
What elements does H4W contain?
H4W contains H and W (2 elements).
Where does the data for H4W come from?
H4W data is cross-referenced from materials_project, mpaloe, alexandria.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
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