Basic Information
Formula
Sm(Ge2Rh3)2
MP-ID
mp-1103010
Elements
3
Sites
11
Density
10.2965
g/cm³
Volume
170.68
ų
Cell a
3.8483
Å
Cell b
7.1565
Å
Cell c
7.1565
Å
α Angle
120.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.29 | 6.1977 | 2.1 | (0,1,-1,-1) |
| 27.28 | 3.2693 | 3.0 | (1,1,-2,-1) |
| 28.81 | 3.0988 | 1.6 | (0,2,-2,-2) |
| 28.81 | 3.0988 | 3.2 | (0,0,0,2) |
| 34.22 | 2.6205 | 24.3 | (1,2,-3,-1) |
| 37.25 | 2.4136 | 100.0 | (1,2,-3,-2) |
| 38.43 | 2.3425 | 33.7 | (0,2,-2,-3) |
| 43.82 | 2.0659 | 2.9 | (0,3,-3,-3) |
| 43.82 | 2.0659 | 5.8 | (0,0,0,3) |
| 45.32 | 2.0009 | 33.8 | (1,3,-4,-2) |
| 47.24 | 1.9241 | 25.3 | (2,0,-2,0) |
| 50.12 | 1.8202 | 4.6 | (1,3,-4,-3) |
| 50.12 | 1.8202 | 9.2 | (1,3,-4,0) |
| 51.05 | 1.7891 | 16.7 | (0,2,-2,-4) |
| 51.05 | 1.7891 | 8.4 | (0,2,-2,2) |
| 56.28 | 1.6347 | 1.5 | (2,2,-4,-2) |
| 58.84 | 1.5695 | 8.4 | (1,4,-5,-3) |
| 62.46 | 1.4868 | 15.9 | (2,3,-5,-2) |
| 64.87 | 1.4373 | 1.7 | (1,4,-5,-4) |
| 64.87 | 1.4373 | 3.5 | (1,0,-1,4) |
| 65.67 | 1.4219 | 1.1 | (0,5,-5,-3) |
| 65.67 | 1.4219 | 1.1 | (0,2,-2,-5) |
| 65.67 | 1.4219 | 1.1 | (0,3,-3,2) |
| 66.39 | 1.4080 | 1.6 | (2,3,-5,-3) |
Energy Properties
Formation Energy/atom
-0.74300
eV/atom
Energy/atom
-6.86996
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.7015
eV/atom
Volume/atom
15.52
ų
c/a Ratio
1.8597
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.545
Element Family
N/A
Solute Fraction
0.455
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.550
Family
Rh-rich Multi-Component
Matrix Element
Rh · 0.545
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103010
Reference Citation
The crystal structure and related material properties of Sm(Ge2Rh3)2 were obtained from the Materials Project database (MP-ID: mp-1103010, 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_Sm(Ge2Rh3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84824822
_cell_length_b 7.15646418
_cell_length_c 7.15646418
_cell_angle_alpha 120.00000889
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm(Ge2Rh3)2
_chemical_formula_sum 'Sm1 Ge4 Rh6'
_cell_volume 170.68315966
_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
Sm Sm0 1 -0.00000000 -0.00000000 -0.00000000 1.0
Ge Ge1 1 -0.00000000 0.66666700 0.33333300 1.0
Ge Ge2 1 0.50000000 0.19793400 0.80206600 1.0
Ge Ge3 1 0.50000000 0.60413399 0.80206600 1.0
Ge Ge4 1 0.50000000 0.19793400 0.39586601 1.0
Rh Rh5 1 -0.00000000 0.46679173 0.53320827 1.0
Rh Rh6 1 -0.00000000 0.06641455 0.53320827 1.0
Rh Rh7 1 -0.00000000 0.46679173 0.93358545 1.0
Rh Rh8 1 0.50000000 0.79995564 0.20004436 1.0
Rh Rh9 1 0.50000000 0.40008872 0.20004436 1.0
Rh Rh10 1 0.50000000 0.79995564 0.59991128 1.0
