CuN
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1008922 · Space group: Fm-3m (#225)
Basic Information
Formula
CuN
MP-ID
mp-1008922
Elements
2
Sites
2
Density
7.1268
g/cm³
Volume
18.07
ų
Cell a
2.9455
Å
Cell b
2.9455
Å
Cell c
2.9455
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 5)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 37.39 | 2.4050 | 97.5 | (1,1,1) |
| 43.45 | 2.0828 | 100.0 | (1,1,0) |
| 63.13 | 1.4727 | 57.6 | (2,1,1) |
| 75.73 | 1.2560 | 35.5 | (2,2,1) |
| 79.75 | 1.2025 | 18.1 | (2,2,2) |
Energy Properties
Formation Energy/atom
0.84197
eV/atom
Energy/atom
-9.14581
eV/atom
Energy above Hull
0.8420
eV/atom
Uncorrected Energy
-5.1954
eV/atom
Volume/atom
9.03
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
0.0024
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000130
μB/ų
Elastic Properties
KVRH
203.809
GPa
GVRH
67.018
GPa
Young's Modulus E
181.194
GPa
Poisson Ratio ν
0.352
Pugh Ratio K/G
3.041
Vickers Hardness Est.
3.371
GPa
Ductility
Brittle
Anisotropy
0.046
Lame λ
159.130
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.589
Family
Cu-based Alloy
Matrix Element
Cu · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0460
Homogeneous Poisson ν
0.3520
Debye Temperature
492.8
K
Sound Velocity
3,448.6
m/s
Homogeneity
0.3520
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008922
Reference Citation
The crystal structure and related material properties of CuN were obtained from the Materials Project database (MP-ID: mp-1008922, 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_CuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94547592
_cell_length_b 2.94547592
_cell_length_c 2.94547592
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuN
_chemical_formula_sum 'Cu1 N1'
_cell_volume 18.06972046
_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
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.50000000 0.50000000 0.50000000 1.0
