Cu3Rh
Traditional Materials TRAMP-ID: mp-1184027 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Cu3Rh
MP-ID
mp-1184027
Elements
2
Sites
8
Density
10.0289
g/cm³
Volume
97.21
ų
Cell a
5.1788
Å
Cell b
5.1788
Å
Cell c
4.1851
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.80 | 4.4850 | 1.3 | (1,0,-1,0) |
| 29.19 | 3.0598 | 2.8 | (1,-1,0,1) |
| 29.19 | 3.0598 | 5.6 | (1,0,-1,1) |
| 34.64 | 2.5894 | 2.0 | (2,-1,-1,0) |
| 34.64 | 2.5894 | 1.0 | (1,1,-2,0) |
| 40.21 | 2.2425 | 12.4 | (2,-2,0,0) |
| 40.21 | 2.2425 | 24.7 | (2,0,-2,0) |
| 43.24 | 2.0925 | 40.0 | (0,0,0,2) |
| 45.91 | 1.9766 | 50.0 | (2,-2,0,1) |
| 45.91 | 1.9766 | 100.0 | (2,0,-2,1) |
| 56.55 | 1.6275 | 1.1 | (2,-1,-1,2) |
| 60.52 | 1.5299 | 7.0 | (2,-2,0,2) |
| 60.52 | 1.5299 | 13.9 | (2,0,-2,2) |
| 73.09 | 1.2947 | 15.2 | (4,-2,-2,0) |
| 73.09 | 1.2947 | 7.6 | (2,2,-4,0) |
| 81.21 | 1.1845 | 8.5 | (2,-2,0,3) |
| 81.21 | 1.1845 | 17.0 | (2,0,-2,3) |
| 86.87 | 1.1213 | 1.2 | (4,-4,0,0) |
| 86.87 | 1.1213 | 2.4 | (4,0,-4,0) |
| 88.89 | 1.1010 | 18.2 | (4,-2,-2,2) |
| 88.89 | 1.1010 | 9.1 | (2,2,-4,2) |
Energy Properties
Formation Energy/atom
0.04563
eV/atom
Energy/atom
-14.12353
eV/atom
Energy above Hull
0.0456
eV/atom
Uncorrected Energy
-14.1235
eV/atom
Volume/atom
12.15
ų
c/a Ratio
0.8081
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0011
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.856
Family
Cu-based Alloy
Matrix Element
Cu · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184027
Reference Citation
The crystal structure and related material properties of Cu3Rh were obtained from the Materials Project database (MP-ID: mp-1184027, 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_Cu3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17883769
_cell_length_b 5.17883769
_cell_length_c 4.18507705
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00003617
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu3Rh
_chemical_formula_sum 'Cu6 Rh2'
_cell_volume 97.20722193
_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
Cu Cu0 1 0.16391745 0.32783389 0.25000000 1.0
Cu Cu1 1 0.67216611 0.83608255 0.25000000 1.0
Cu Cu2 1 0.16391745 0.83608255 0.25000000 1.0
Cu Cu3 1 0.83608255 0.67216611 0.75000000 1.0
Cu Cu4 1 0.32783389 0.16391745 0.75000000 1.0
Cu Cu5 1 0.83608255 0.16391745 0.75000000 1.0
Rh Rh6 1 0.33333300 0.66666700 0.75000000 1.0
Rh Rh7 1 0.66666700 0.33333300 0.25000000 1.0
