GeRh3
Traditional Materials TRAMP-ID: mp-1184788 · Space group: P6_3/mmc (#194)
Basic Information
Formula
GeRh3
MP-ID
mp-1184788
Elements
2
Sites
8
Density
11.0220
g/cm³
Volume
114.91
ų
Cell a
5.5167
Å
Cell b
5.5167
Å
Cell c
4.3598
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.70 | 3.2204 | 2.1 | (1,0,-1,1) |
| 37.66 | 2.3888 | 24.7 | (2,0,-2,0) |
| 41.42 | 2.1799 | 25.1 | (0,0,0,2) |
| 43.18 | 2.0949 | 100.0 | (2,0,-2,1) |
| 57.21 | 1.6102 | 4.8 | (2,-2,0,2) |
| 57.21 | 1.6102 | 9.5 | (2,0,-2,2) |
| 67.97 | 1.3792 | 16.8 | (4,-2,-2,0) |
| 76.77 | 1.2416 | 17.7 | (2,0,-2,3) |
| 80.40 | 1.1944 | 1.7 | (4,0,-4,0) |
| 82.82 | 1.1655 | 12.9 | (4,-2,-2,2) |
| 82.82 | 1.1655 | 6.5 | (2,2,-4,2) |
| 84.02 | 1.1520 | 14.1 | (4,0,-4,1) |
Energy Properties
Formation Energy/atom
-0.23414
eV/atom
Energy/atom
-21.80431
eV/atom
Energy above Hull
0.1188
eV/atom
Uncorrected Energy
-6.9038
eV/atom
Volume/atom
14.36
ų
c/a Ratio
0.7903
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0073
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000060
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 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
0.642
Family
Binary Alloy
Matrix Element
Rh · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184788
Reference Citation
The crystal structure and related material properties of GeRh3 were obtained from the Materials Project database (MP-ID: mp-1184788, 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_GeRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51668444
_cell_length_b 5.51668444
_cell_length_c 4.35976600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000531
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeRh3
_chemical_formula_sum 'Ge2 Rh6'
_cell_volume 114.90794934
_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
Ge Ge0 1 0.33333300 0.66666700 0.75000000 1.0
Ge Ge1 1 0.66666700 0.33333300 0.25000000 1.0
Rh Rh2 1 0.16662900 0.33325800 0.25000000 1.0
Rh Rh3 1 0.66674200 0.83337100 0.25000000 1.0
Rh Rh4 1 0.16662900 0.83337100 0.25000000 1.0
Rh Rh5 1 0.83337100 0.66674200 0.75000000 1.0
Rh Rh6 1 0.33325800 0.16662900 0.75000000 1.0
Rh Rh7 1 0.83337100 0.16662900 0.75000000 1.0
