Basic Information
Formula
WC
MP-ID
mp-1008630
Elements
2
Sites
2
Density
15.9239
g/cm³
Volume
20.42
ų
Cell a
2.7334
Å
Cell b
2.7334
Å
Cell c
2.7334
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
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 |
|---|---|---|---|
| 32.76 | 2.7334 | 100.0 | (1,0,0) |
| 47.01 | 1.9328 | 92.6 | (1,1,0) |
| 58.48 | 1.5782 | 26.9 | (1,1,1) |
| 68.68 | 1.3667 | 14.9 | (2,0,0) |
| 78.20 | 1.2224 | 35.2 | (2,1,0) |
| 87.39 | 1.1159 | 32.3 | (2,1,1) |
Energy Properties
Formation Energy/atom
0.74546
eV/atom
Energy/atom
-29.91206
eV/atom
Energy above Hull
0.8990
eV/atom
Uncorrected Energy
-10.3161
eV/atom
Volume/atom
10.21
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
0.0006
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
KVRH
366.400
GPa
GVRH
233.691
GPa
Young's Modulus E
578.156
GPa
Poisson Ratio ν
0.237
Pugh Ratio K/G
1.568
Vickers Hardness Est.
25.719
GPa
Ductility
Ductile
Anisotropy
1.599
Lame λ
210.606
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
W · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.5990
Homogeneous Poisson ν
0.2370
Debye Temperature
582.6
K
Sound Velocity
4,246.6
m/s
Homogeneity
0.2370
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008630
Reference Citation
The crystal structure and related material properties of WC were obtained from the Materials Project database (MP-ID: mp-1008630, 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_WC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.73343400
_cell_length_b 2.73343400
_cell_length_c 2.73343400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WC
_chemical_formula_sum 'W1 C1'
_cell_volume 20.42329340
_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
C C1 1 0.50000000 0.50000000 0.50000000 1.0
