Basic Information
Formula
CdC
MP-ID
mp-1006887
Elements
2
Sites
2
Density
7.2162
g/cm³
Volume
28.63
ų
Cell a
3.4339
Å
Cell b
3.4339
Å
Cell c
3.4339
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 7)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.92 | 2.8038 | 100.0 | (1,1,1) |
| 37.02 | 2.4281 | 72.7 | (1,1,0) |
| 53.36 | 1.7169 | 47.3 | (2,1,1) |
| 63.54 | 1.4642 | 40.6 | (2,2,1) |
| 66.72 | 1.4019 | 15.4 | (2,2,2) |
| 78.84 | 1.2141 | 7.1 | (2,2,0) |
| 87.57 | 1.1141 | 17.1 | (3,2,2) |
Energy Properties
Formation Energy/atom
1.99011
eV/atom
Energy/atom
-13.03600
eV/atom
Energy above Hull
1.9901
eV/atom
Uncorrected Energy
-3.0857
eV/atom
Volume/atom
14.32
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
0.0063
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000220
μB/ų
Elastic Properties
KVRH
102.325
GPa
GVRH
29.038
GPa
Young's Modulus E
79.586
GPa
Poisson Ratio ν
0.370
Pugh Ratio K/G
3.524
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.005
Lame λ
82.966
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Cd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1006887
Reference Citation
The crystal structure and related material properties of CdC were obtained from the Materials Project database (MP-ID: mp-1006887, 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_CdC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43387599
_cell_length_b 3.43387599
_cell_length_c 3.43387599
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdC
_chemical_formula_sum 'Cd1 C1'
_cell_volume 28.63115212
_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
Cd Cd0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.50000000 0.50000000 0.50000000 1.0
