WN
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-991 · Space group: P-6m2 (#187)
Basic Information
Formula
WN
MP-ID
mp-991
Elements
2
Sites
2
Density
15.7710
g/cm³
Volume
20.83
ų
Cell a
2.8760
Å
Cell b
2.8760
Å
Cell c
2.9080
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 13)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.75 | 2.9080 | 45.0 | (0,0,0,1) |
| 36.06 | 2.4907 | 97.4 | (1,0,-1,0) |
| 48.10 | 1.8917 | 100.0 | (1,0,-1,1) |
| 64.04 | 1.4540 | 7.4 | (0,0,0,2) |
| 64.84 | 1.4380 | 14.3 | (2,-1,-1,0) |
| 64.84 | 1.4380 | 7.2 | (1,1,-2,0) |
| 73.46 | 1.2890 | 16.2 | (2,-1,-1,1) |
| 73.46 | 1.2890 | 8.1 | (1,1,-2,1) |
| 75.75 | 1.2557 | 23.6 | (1,0,-1,2) |
| 76.49 | 1.2454 | 3.8 | (2,-2,0,0) |
| 76.49 | 1.2454 | 7.7 | (2,0,-2,0) |
| 84.66 | 1.1448 | 6.6 | (2,-2,0,1) |
| 84.66 | 1.1448 | 13.3 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
-0.17616
eV/atom
Energy/atom
-30.42443
eV/atom
Energy above Hull
0.2883
eV/atom
Uncorrected Energy
-10.7178
eV/atom
Volume/atom
10.42
ų
c/a Ratio
1.0111
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
375.170
GPa
GVRH
165.988
GPa
Young's Modulus E
433.964
GPa
Poisson Ratio ν
0.307
Pugh Ratio K/G
2.260
Vickers Hardness Est.
12.326
GPa
Ductility
Brittle
Anisotropy
0.406
Lame λ
264.511
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
W · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.597
Family
Binary Alloy
Matrix Element
W · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4060
Homogeneous Poisson ν
0.3070
Debye Temperature
494.3
K
Sound Velocity
3,627.0
m/s
Homogeneity
0.3070
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-991
Reference Citation
The crystal structure and related material properties of WN were obtained from the Materials Project database (MP-ID: mp-991, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_WN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87603443
_cell_length_b 2.87603443
_cell_length_c 2.90803300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000984
_symmetry_Int_Tables_number 1
_chemical_formula_structural WN
_chemical_formula_sum 'W1 N1'
_cell_volume 20.83138186
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
W W0 1 0.33333300 0.66666700 0.50000000 1.0
N N1 1 0.00000000 0.00000000 0.00000000 1.0
