WN
Traditional Materials TRAMP-ID: mp-1001828 · Space group: F-43m (#216)
Basic Information
Formula
WN
MP-ID
mp-1001828
Elements
2
Sites
2
Density
12.8701
g/cm³
Volume
25.53
ų
Cell a
3.3050
Å
Cell b
3.3050
Å
Cell c
3.3050
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.20 | 2.6985 | 100.0 | (1,1,1) |
| 38.52 | 2.3370 | 43.1 | (1,1,0) |
| 55.62 | 1.6525 | 39.2 | (2,1,1) |
| 66.33 | 1.4093 | 41.4 | (2,1,0) |
| 69.69 | 1.3493 | 10.7 | (2,2,2) |
| 82.56 | 1.1685 | 6.3 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.09354
eV/atom
Energy/atom
-30.15473
eV/atom
Energy above Hull
0.5580
eV/atom
Uncorrected Energy
-10.4481
eV/atom
Volume/atom
12.76
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0130
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000510
μB/ų
Elastic Properties
KVRH
277.814
GPa
GVRH
-237.613
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-1.169
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
12.873
Lame λ
436.223
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
0.589
Family
Binary Alloy
Matrix Element
W · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1001828
Reference Citation
The crystal structure and related material properties of WN were obtained from the Materials Project database (MP-ID: mp-1001828, 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
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Raw CIF Data
# generated using pymatgen
data_WN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30499023
_cell_length_b 3.30499023
_cell_length_c 3.30499023
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WN
_chemical_formula_sum 'W1 N1'
_cell_volume 25.52675089
_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 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.25000000 0.25000000 0.25000000 1.0
