Basic Information
Formula
W2C
MP-ID
mp-1008625
Elements
2
Sites
3
Density
16.5105
g/cm³
Volume
38.19
ų
Cell a
3.0701
Å
Cell b
3.0701
Å
Cell c
4.6784
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
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 16)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.71 | 2.6587 | 14.5 | (1,0,-1,0) |
| 33.71 | 2.6587 | 7.2 | (1,-1,0,0) |
| 38.48 | 2.3392 | 21.6 | (0,0,0,2) |
| 38.96 | 2.3115 | 100.0 | (1,0,-1,1) |
| 52.08 | 1.7562 | 16.1 | (1,0,-1,2) |
| 60.29 | 1.5350 | 6.6 | (1,1,-2,0) |
| 60.29 | 1.5350 | 13.1 | (2,-1,-1,0) |
| 69.93 | 1.3452 | 18.1 | (1,0,-1,3) |
| 70.89 | 1.3294 | 1.8 | (2,0,-2,0) |
| 73.84 | 1.2834 | 6.7 | (1,1,-2,2) |
| 73.84 | 1.2834 | 13.3 | (2,-1,-1,2) |
| 74.15 | 1.2788 | 10.3 | (2,0,-2,1) |
| 74.15 | 1.2788 | 5.2 | (2,-2,0,1) |
| 82.47 | 1.1696 | 2.7 | (0,0,0,4) |
| 83.67 | 1.1558 | 2.8 | (2,0,-2,2) |
| 83.67 | 1.1558 | 1.4 | (2,-2,0,2) |
Energy Properties
Formation Energy/atom
0.03454
eV/atom
Energy/atom
-37.52640
eV/atom
Energy above Hull
0.1369
eV/atom
Uncorrected Energy
-11.6592
eV/atom
Volume/atom
12.73
ų
c/a Ratio
1.5239
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
315.374
GPa
GVRH
155.666
GPa
Young's Modulus E
401.018
GPa
Poisson Ratio ν
0.288
Pugh Ratio K/G
2.026
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.388
Lame λ
211.597
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
W · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.333
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.821
Family
Binary Alloy
Matrix Element
W · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008625
Reference Citation
The crystal structure and related material properties of W2C were obtained from the Materials Project database (MP-ID: mp-1008625, 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_W2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07004528
_cell_length_b 3.07004528
_cell_length_c 4.67842800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998457
_symmetry_Int_Tables_number 1
_chemical_formula_structural W2C
_chemical_formula_sum 'W2 C1'
_cell_volume 38.18741073
_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 0.66666700 0.33333300 0.25366900 1.0
W W1 1 0.33333300 0.66666700 0.74633100 1.0
C C2 1 0.00000000 0.00000000 0.00000000 1.0
