YWN3
This compound is a ternary nitride containing yttrium, tungsten, and nitrogen. It is primarily studied in materials science research for its potential structural and electronic properties in specialized solid-state applications.
NWY
Overview
Key Properties
Cross-validated computational properties for YWN3, 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.
1.13–2.28 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.
0.000 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
31
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YWN3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.28 | 0.0000 | -21.035 | 6.89 |
| P21/m (No. 11) | monoclinic | 1.41 | 0.0198 | -21.015 | 6.66 |
| Cmcm (No. 63) | orthorhombic | 1.13 | 0.0224 | -21.013 | 7.50 |
| Ama2 (No. 40) | orthorhombic | 1.41 | 0.0243 | -21.011 | 6.90 |
| Pmc21 (No. 26) | orthorhombic | 1.52 | 0.0386 | -20.997 | 7.88 |
| R3c (No. 161) | trigonal | 1.54 | 0.0459 | -20.989 | 8.36 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 7.88 |
| Pmc21 (No. 26) | — | — | — | — | — |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 7.99 |
| C2/c (No. 15) | Monoclinic | — | — | — | 6.99 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.60 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 8.30 |
Uses
Applications
Where YWN3 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about YWN3, answered from cross-validated data.
What is YWN3?
This compound is a ternary nitride containing yttrium, tungsten, and nitrogen. It is primarily studied in materials science research for its potential structural and electronic properties in specialized solid-state applications.
More questions
What is YWN3 used for?
YWN3 is used in materials science research and solid-state chemistry studies.
What is the band gap of YWN3?
YWN3 has a DFT-computed band gap of 1.13–2.28 eV across 31 reported structures.
Is YWN3 a metal, semiconductor, or insulator?
With a band gap up to 2.28 eV it is a semiconductor.
Is YWN3 thermodynamically stable?
Yes — YWN3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of YWN3?
The lowest-energy reported polymorph of YWN3 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of YWN3?
The computed density of the ground-state structure of YWN3 is 6.89 g/cm³.
How many polymorphs of YWN3 are known?
31 structures of YWN3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does YWN3 contain?
YWN3 contains N, W, and Y (3 elements).
Where does the data for YWN3 come from?
YWN3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze YWN3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →