WN6
WN6 is a semiconducting tungsten nitride compound that exists in a metastable state with a high degree of structural complexity.
About WN6
WN6 is a complex tungsten nitride compound characterized by its semiconducting electronic nature. Its structural landscape is notably diverse, with numerous reported configurations that highlight the intricate bonding possibilities between tungsten and nitrogen atoms.
Due to its position above the thermodynamic hull, WN6 is considered a metastable phase. This suggests that while it can be synthesized under specific conditions, it remains a subject of interest for researchers studying high-pressure chemistry and the stabilization of non-equilibrium nitride materials.
Key Properties
Cross-validated computational properties for WN6, aggregated across 2 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for WN6, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.36 | 2.4104 | -12.951 | 0.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.67 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.98 |
| P1 (No. 1) | Triclinic | — | — | — | 6.15 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.39 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.07 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.35 |
| P1 (No. 1) | Triclinic | — | — | — | 8.66 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.29 |
Applications
Where WN6 is used.
Frequently Asked Questions
Common questions about WN6, answered from cross-validated data.
What is WN6?
WN6 is a semiconducting tungsten nitride compound that exists in a metastable state with a high degree of structural complexity.
What is WN6 used for?
What is the band gap of WN6?
Is WN6 a metal, semiconductor, or insulator?
Is WN6 thermodynamically stable?
What is the crystal structure of WN6?
What is the density of WN6?
How many polymorphs of WN6 are known?
What elements does WN6 contain?
Where does the data for WN6 come from?
How It Compares
As a unique tungsten-rich nitride, WN6 represents a specialized case within the broader family of transition metal nitrides. Unlike more common, highly stable binary nitrides, WN6 occupies a distinct space where its electronic properties are balanced against its inherent thermodynamic instability, making it a valuable case study for theoretical and experimental exploration of exotic stoichiometry.
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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