Basic Information
Formula
CdN
MP-ID
mp-1008483
Elements
2
Sites
4
Density
7.3767
g/cm³
Volume
56.91
ų
Cell a
3.3468
Å
Cell b
3.3468
Å
Cell c
5.8673
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
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 |
|---|---|---|---|
| 30.47 | 2.9337 | 30.0 | (0,0,0,2) |
| 30.85 | 2.8984 | 100.0 | (1,0,-1,0) |
| 34.51 | 2.5986 | 1.8 | (1,0,-1,1) |
| 43.91 | 2.0618 | 31.2 | (1,-1,0,2) |
| 43.91 | 2.0618 | 62.3 | (1,0,-1,2) |
| 54.86 | 1.6734 | 25.5 | (2,-1,-1,0) |
| 63.41 | 1.4668 | 5.3 | (0,0,0,4) |
| 64.06 | 1.4535 | 21.5 | (2,-1,-1,2) |
| 64.28 | 1.4492 | 3.9 | (2,-2,0,0) |
| 64.28 | 1.4492 | 7.8 | (2,0,-2,0) |
| 72.18 | 1.3088 | 16.5 | (1,0,-1,4) |
| 72.79 | 1.2993 | 6.4 | (2,-2,0,2) |
| 72.79 | 1.2993 | 12.8 | (2,0,-2,2) |
| 88.68 | 1.1031 | 12.7 | (2,-1,-1,4) |
| 89.45 | 1.0955 | 6.6 | (3,-1,-2,0) |
| 89.45 | 1.0955 | 3.3 | (2,1,-3,0) |
Energy Properties
Formation Energy/atom
0.96046
eV/atom
Energy/atom
-13.65641
eV/atom
Energy above Hull
0.9605
eV/atom
Uncorrected Energy
-3.4887
eV/atom
Volume/atom
14.23
ų
c/a Ratio
1.7531
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.9976
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.035100
μB/ų
Elastic Properties
KVRH
101.532
GPa
GVRH
19.068
GPa
Young's Modulus E
53.834
GPa
Poisson Ratio ν
0.412
Pugh Ratio K/G
5.325
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
4.722
Lame λ
88.820
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-1008483
Reference Citation
The crystal structure and related material properties of CdN were obtained from the Materials Project database (MP-ID: mp-1008483, 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_CdN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34677237
_cell_length_b 3.34677237
_cell_length_c 5.86733600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000732
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdN
_chemical_formula_sum 'Cd2 N2'
_cell_volume 56.91462895
_cell_formula_units_Z 2
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 0.50000000 1.0
Cd Cd1 1 0.00000000 0.00000000 0.00000000 1.0
N N2 1 0.33333300 0.66666700 0.25000000 1.0
N N3 1 0.66666700 0.33333300 0.75000000 1.0
