Basic Information
Formula
GaCuRh2
MP-ID
mp-862485
Elements
3
Sites
4
Density
10.7408
g/cm³
Volume
52.42
ų
Cell a
4.2009
Å
Cell b
4.2009
Å
Cell c
4.2009
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
Yes
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.08 | 2.9705 | 5.1 | (1,1,0) |
| 43.06 | 2.1005 | 100.0 | (2,1,1) |
| 53.42 | 1.7150 | 1.4 | (2,2,2) |
| 62.54 | 1.4852 | 15.9 | (2,2,0) |
| 70.95 | 1.3284 | 1.8 | (3,2,1) |
| 78.94 | 1.2127 | 31.6 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.37304
eV/atom
Energy/atom
-5.83702
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.0460
eV/atom
Volume/atom
13.11
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0005
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.509
Family
Rh-rich Multi-Component
Matrix Element
Rh · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-862485
Reference Citation
The crystal structure and related material properties of GaCuRh2 were obtained from the Materials Project database (MP-ID: mp-862485, 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_GaCuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20090584
_cell_length_b 4.20090584
_cell_length_c 4.20090584
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaCuRh2
_chemical_formula_sum 'Ga1 Cu1 Rh2'
_cell_volume 52.42203131
_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
Ga Ga0 1 0.75000000 0.75000000 0.75000000 1.0
Cu Cu1 1 0.24999900 0.24999900 0.24999900 1.0
Rh Rh2 1 0.00000000 -0.00000000 -0.00000000 1.0
Rh Rh3 1 0.50000100 0.50000100 0.50000100 1.0
