CuNi
Traditional Materials TRAMP-ID: mp-1184069 · Space group: P-6m2 (#187)
Basic Information
Formula
CuNi
MP-ID
mp-1184069
Elements
2
Sites
2
Density
9.3583
g/cm³
Volume
21.69
ų
Cell a
2.4716
Å
Cell b
2.4716
Å
Cell c
4.1000
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 11)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 42.22 | 2.1405 | 24.7 | (1,0,-1,0) |
| 42.22 | 2.1404 | 12.3 | (1,-1,0,0) |
| 44.18 | 2.0500 | 42.9 | (0,0,0,2) |
| 47.94 | 1.8975 | 100.0 | (1,0,-1,1) |
| 47.95 | 1.8974 | 50.0 | (1,-1,0,1) |
| 62.76 | 1.4805 | 13.9 | (1,0,-1,2) |
| 62.76 | 1.4805 | 7.0 | (1,-1,0,2) |
| 77.19 | 1.2358 | 7.2 | (1,1,-2,0) |
| 77.19 | 1.2358 | 14.4 | (2,-1,-1,0) |
| 84.02 | 1.1519 | 17.1 | (1,0,-1,3) |
| 84.02 | 1.1519 | 8.6 | (1,-1,0,3) |
Energy Properties
Formation Energy/atom
0.05968
eV/atom
Energy/atom
-11.35457
eV/atom
Energy above Hull
0.0597
eV/atom
Uncorrected Energy
-11.3546
eV/atom
Volume/atom
10.85
ų
c/a Ratio
1.6589
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
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
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.794
Family
Cu-based Alloy
Matrix Element
Cu · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184069
Reference Citation
The crystal structure and related material properties of CuNi were obtained from the Materials Project database (MP-ID: mp-1184069, 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_CuNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47156421
_cell_length_b 2.47156421
_cell_length_c 4.09997370
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99831055
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuNi
_chemical_formula_sum 'Cu1 Ni1'
_cell_volume 21.69016670
_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 0.33333269 0.66666731 0.50000000 1.0
Ni Ni1 1 0.00000031 -0.00000031 0.00000000 1.0
