Basic Information
Formula
SnRh
MP-ID
mp-317
Elements
2
Sites
8
Density
10.7097
g/cm³
Volume
137.45
ų
Cell a
5.1607
Å
Cell b
5.1607
Å
Cell c
5.1607
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_13
Point Group
23
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.99 | 2.9796 | 10.1 | (1,1,1) |
| 34.77 | 2.5804 | 13.8 | (2,0,0) |
| 39.03 | 2.3080 | 100.0 | (2,1,0) |
| 42.93 | 2.1069 | 50.5 | (2,1,1) |
| 49.99 | 1.8246 | 1.3 | (2,2,0) |
| 53.25 | 1.7202 | 10.0 | (2,2,1) |
| 56.38 | 1.6320 | 1.2 | (3,1,0) |
| 59.40 | 1.5560 | 10.2 | (3,1,1) |
| 65.18 | 1.4313 | 2.4 | (3,2,0) |
| 67.96 | 1.3793 | 38.5 | (3,2,1) |
| 73.39 | 1.2902 | 7.6 | (4,0,0) |
| 76.04 | 1.2517 | 8.0 | (4,1,0) |
| 78.66 | 1.2164 | 4.3 | (4,1,1) |
| 81.26 | 1.1840 | 11.6 | (3,3,1) |
| 83.83 | 1.1540 | 2.4 | (4,2,0) |
| 86.40 | 1.1262 | 13.6 | (4,2,1) |
| 88.96 | 1.1003 | 1.7 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.46290
eV/atom
Energy/atom
-6.14984
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.8970
eV/atom
Volume/atom
17.18
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
140.398
GPa
GVRH
54.997
GPa
Young's Modulus E
145.936
GPa
Poisson Ratio ν
0.327
Pugh Ratio K/G
2.553
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.006
Lame λ
103.733
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.789
Family
Binary Alloy
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-317
Reference Citation
The crystal structure and related material properties of SnRh were obtained from the Materials Project database (MP-ID: mp-317, 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_SnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16072755
_cell_length_b 5.16072755
_cell_length_c 5.16072755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnRh
_chemical_formula_sum 'Sn4 Rh4'
_cell_volume 137.44621856
_cell_formula_units_Z 4
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
Sn Sn0 1 0.84010151 0.84010151 0.84010151 1.0
Sn Sn1 1 0.65989849 0.15989849 0.34010151 1.0
Sn Sn2 1 0.34010151 0.65989849 0.15989849 1.0
Sn Sn3 1 0.15989849 0.34010151 0.65989849 1.0
Rh Rh4 1 0.14514129 0.14514129 0.14514129 1.0
Rh Rh5 1 0.35485771 0.85485871 0.64514129 1.0
Rh Rh6 1 0.64514129 0.35485771 0.85485871 1.0
Rh Rh7 1 0.85485871 0.64514129 0.35485771 1.0
