Basic Information
Formula
Sn2Rh6C
MP-ID
mp-3202302
Elements
3
Sites
9
Density
11.2125
g/cm³
Volume
128.38
ų
Cell a
5.6625
Å
Cell b
5.6625
Å
Cell c
5.6625
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 38.96 | 2.3117 | 100.0 | (2,2,2) |
| 38.96 | 2.3117 | 33.3 | (0,0,2) |
| 45.30 | 2.0020 | 67.9 | (2,2,0) |
| 65.99 | 1.4156 | 21.8 | (4,2,2) |
| 65.99 | 1.4156 | 21.8 | (2,2,4) |
| 79.37 | 1.2072 | 37.6 | (4,4,2) |
| 79.37 | 1.2072 | 12.5 | (2,0,4) |
| 83.67 | 1.1558 | 11.5 | (4,4,4) |
| 83.67 | 1.1558 | 3.8 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.28545
eV/atom
Energy/atom
-22.98067
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.9807
eV/atom
Volume/atom
14.26
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0048
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.111
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.632
Family
Interstitial Alloy
Matrix Element
Rh · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3202302
Reference Citation
The crystal structure and related material properties of Sn2Rh6C were obtained from the Materials Project database (MP-ID: mp-3202302, 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_Sn2Rh6C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66244599
_cell_length_b 5.66244601
_cell_length_c 5.66244511
_cell_angle_alpha 59.99999395
_cell_angle_beta 59.99999383
_cell_angle_gamma 59.99999928
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn2Rh6C
_chemical_formula_sum 'Sn2 Rh6 C1'
_cell_volume 128.37992332
_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 0.75000000 0.75000000 0.75000000 1.0
Sn Sn1 1 0.25000000 0.25000000 0.25000000 1.0
Rh Rh2 1 0.75280534 0.75280534 0.24719466 1.0
Rh Rh3 1 0.75280534 0.24719466 0.24719466 1.0
Rh Rh4 1 0.24719466 0.75280534 0.24719466 1.0
Rh Rh5 1 0.24719466 0.24719466 0.75280534 1.0
Rh Rh6 1 0.75280534 0.24719466 0.75280534 1.0
Rh Rh7 1 0.24719466 0.75280534 0.75280534 1.0
C C8 1 0.50000000 0.50000000 0.50000000 1.0
