Basic Information
Formula
WC
MP-ID
mp-1008635
Elements
2
Sites
2
Density
12.4550
g/cm³
Volume
26.11
ų
Cell a
3.3300
Å
Cell b
3.3300
Å
Cell c
3.3300
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 |
|---|---|---|---|
| 32.94 | 2.7190 | 100.0 | (1,1,1) |
| 38.22 | 2.3547 | 44.7 | (1,1,0) |
| 55.16 | 1.6650 | 38.5 | (2,1,1) |
| 65.77 | 1.4199 | 41.7 | (2,1,0) |
| 69.09 | 1.3595 | 11.0 | (2,2,2) |
| 81.81 | 1.1774 | 6.2 | (2,2,0) |
Energy Properties
Formation Energy/atom
0.51934
eV/atom
Energy/atom
-30.13818
eV/atom
Energy above Hull
0.6729
eV/atom
Uncorrected Energy
-10.5422
eV/atom
Volume/atom
13.06
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
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
262.759
GPa
GVRH
21.556
GPa
Young's Modulus E
62.947
GPa
Poisson Ratio ν
0.460
Pugh Ratio K/G
12.190
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
1.632
Lame λ
248.388
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
1.6320
Homogeneous Poisson ν
0.4600
Debye Temperature
189.7
K
Sound Velocity
1,500.9
m/s
Homogeneity
0.4600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008635
Reference Citation
The crystal structure and related material properties of WC were obtained from the Materials Project database (MP-ID: mp-1008635, 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 3.33003736
_cell_length_b 3.33003736
_cell_length_c 3.33003736
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural WC
_chemical_formula_sum 'W1 C1'
_cell_volume 26.11153004
_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 0.25000000 0.25000000 0.25000000 1.0
