CdN
传统材料 TRAMP-ID: mp-1008965 · Space group: P-6m2 (#187)
Basic Information
Formula
CdN
MP-ID
mp-1008965
Elements
2
Sites
2
Density
7.3075
g/cm³
Volume
28.73
ų
Cell a
3.3389
Å
Cell b
3.3389
Å
Cell c
2.9754
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 20)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.03 | 2.9754 | 32.5 | (0,0,0,1) |
| 30.92 | 2.8916 | 35.0 | (1,-1,0,0) |
| 30.92 | 2.8916 | 69.9 | (1,0,-1,0) |
| 43.65 | 2.0737 | 100.0 | (1,0,-1,1) |
| 55.00 | 1.6695 | 17.5 | (2,-1,-1,0) |
| 55.00 | 1.6695 | 8.8 | (1,1,-2,0) |
| 62.42 | 1.4877 | 5.8 | (0,0,0,2) |
| 63.94 | 1.4559 | 15.0 | (2,-1,-1,1) |
| 63.94 | 1.4559 | 7.5 | (1,1,-2,1) |
| 64.45 | 1.4458 | 4.1 | (2,-2,0,0) |
| 64.45 | 1.4458 | 8.1 | (2,0,-2,0) |
| 71.29 | 1.3229 | 6.0 | (1,-1,0,2) |
| 71.29 | 1.3229 | 12.0 | (1,0,-1,2) |
| 72.72 | 1.3004 | 6.7 | (2,-2,0,1) |
| 72.72 | 1.3004 | 13.4 | (2,0,-2,1) |
| 87.91 | 1.1107 | 8.9 | (2,-1,-1,2) |
| 87.91 | 1.1107 | 4.5 | (1,1,-2,2) |
| 89.72 | 1.0929 | 3.4 | (3,-2,-1,0) |
| 89.72 | 1.0929 | 3.4 | (3,-1,-2,0) |
| 89.72 | 1.0929 | 3.4 | (2,1,-3,0) |
Energy Properties
Formation Energy/atom
0.99492
eV/atom
Energy/atom
-13.62195
eV/atom
Energy above Hull
0.9949
eV/atom
Uncorrected Energy
-3.4543
eV/atom
Volume/atom
14.36
ų
c/a Ratio
0.8911
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9861
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.034330
μB/ų
Elastic Properties
KVRH
100.433
GPa
GVRH
3.451
GPa
Young's Modulus E
10.236
GPa
Poisson Ratio ν
0.483
Pugh Ratio K/G
29.103
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-12.306
Lame λ
98.132
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-1008965
Reference Citation
The crystal structure and related material properties of CdN were obtained from the Materials Project database (MP-ID: mp-1008965, 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 3.33894458
_cell_length_b 3.33894458
_cell_length_c 2.97537100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001157
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdN
_chemical_formula_sum 'Cd1 N1'
_cell_volume 28.72699039
_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 0.66666700 0.33333300 0.00000000 1.0
N N1 1 0.00000000 0.00000000 0.50000000 1.0
