SnRh3
Traditional Materials TRAMP-ID: mp-978974 · Space group: I4/mmm (#139)
Basic Information
Formula
SnRh3
MP-ID
mp-978974
Elements
2
Sites
4
Density
11.6839
g/cm³
Volume
60.75
ų
Cell a
4.7357
Å
Cell b
4.7357
Å
Cell c
4.7357
Å
α Angle
130.05
°
β Angle
130.05
°
γ Angle
73.32
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 39.74 | 2.2682 | 100.0 | (1,1,0) |
| 45.36 | 1.9994 | 34.2 | (1,-1,1) |
| 47.89 | 1.8995 | 14.6 | (2,2,-2) |
| 66.09 | 1.4138 | 11.1 | (0,0,2) |
| 68.09 | 1.3771 | 20.2 | (3,1,-1) |
| 79.96 | 1.1998 | 25.9 | (2,0,1) |
| 83.68 | 1.1557 | 11.7 | (3,3,-2) |
| 85.65 | 1.1341 | 11.1 | (2,2,0) |
Energy Properties
Formation Energy/atom
-0.25236
eV/atom
Energy/atom
-6.77799
eV/atom
Energy above Hull
0.0196
eV/atom
Uncorrected Energy
-24.5536
eV/atom
Volume/atom
15.19
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
0.8615
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.014180
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
0.708
Family
Binary Alloy
Matrix Element
Rh · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-978974
Reference Citation
The crystal structure and related material properties of SnRh3 were obtained from the Materials Project database (MP-ID: mp-978974, 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_SnRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.73571477
_cell_length_b 4.73571477
_cell_length_c 4.73571477
_cell_angle_alpha 130.05324182
_cell_angle_beta 130.05324182
_cell_angle_gamma 73.32166332
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnRh3
_chemical_formula_sum 'Sn1 Rh3'
_cell_volume 60.74648351
_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
Sn Sn0 1 -0.00000000 -0.00000000 -0.00000000 1.0
Rh Rh1 1 0.74999800 0.25000000 0.49999800 1.0
Rh Rh2 1 0.25000000 0.74999800 0.49999800 1.0
Rh Rh3 1 0.50000000 0.50000000 -0.00000000 1.0
