Basic Information
Formula
CeSiRh2
MP-ID
mp-31078
Elements
3
Sites
8
Density
8.4997
g/cm³
Volume
146.14
ų
Cell a
4.0174
Å
Cell b
4.0373
Å
Cell c
9.2314
Å
α Angle
90.00
°
β Angle
102.57
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 19.71 | 4.5051 | 1.6 | (0,0,2) |
| 24.16 | 3.6843 | 5.7 | (0,1,1) |
| 26.70 | 3.3394 | 11.5 | (1,0,-2) |
| 29.75 | 3.0034 | 38.6 | (0,0,3) |
| 31.81 | 2.8128 | 2.8 | (1,1,-1) |
| 33.40 | 2.6827 | 15.4 | (1,0,-3) |
| 33.40 | 2.6827 | 15.4 | (1,0,2) |
| 34.87 | 2.5732 | 100.0 | (1,1,-2) |
| 34.87 | 2.5732 | 100.0 | (1,1,1) |
| 37.32 | 2.4097 | 30.4 | (0,1,3) |
| 44.90 | 2.0186 | 35.0 | (0,2,0) |
| 45.14 | 2.0087 | 34.5 | (2,0,-1) |
| 46.15 | 1.9671 | 20.4 | (0,1,4) |
| 47.62 | 1.9097 | 7.0 | (1,1,-4) |
| 50.96 | 1.7920 | 17.1 | (1,0,-5) |
| 53.01 | 1.7275 | 3.5 | (1,2,-2) |
| 54.79 | 1.6754 | 13.7 | (0,2,3) |
| 55.00 | 1.6697 | 6.8 | (2,0,-4) |
| 55.00 | 1.6697 | 6.8 | (2,0,2) |
| 56.16 | 1.6379 | 15.4 | (1,1,-5) |
| 57.10 | 1.6130 | 13.1 | (1,2,-3) |
| 59.95 | 1.5429 | 7.5 | (2,1,-4) |
| 59.95 | 1.5429 | 7.5 | (2,1,2) |
| 61.09 | 1.5170 | 3.7 | (1,0,-6) |
Energy Properties
Formation Energy/atom
-0.99572
eV/atom
Energy/atom
-7.51844
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.0417
eV/atom
Volume/atom
18.27
ų
c/a Ratio
2.2979
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.5963
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.010920
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.250
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.509
Family
Interstitial Alloy
Matrix Element
Rh · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31078
Reference Citation
The crystal structure and related material properties of CeSiRh2 were obtained from the Materials Project database (MP-ID: mp-31078, 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_CeSiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01734969
_cell_length_b 4.03725514
_cell_length_c 9.23143185
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.56757949
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeSiRh2
_chemical_formula_sum 'Ce2 Si2 Rh4'
_cell_volume 146.13779002
_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
Ce Ce0 1 0.09853482 0.75000000 0.19706863 1.0
Ce Ce1 1 0.90146518 0.25000000 0.80293137 1.0
Si Si2 1 0.32036239 0.75000000 0.64072777 1.0
Si Si3 1 0.67963761 0.25000000 0.35927223 1.0
Rh Rh4 1 0.54869961 0.25000000 0.09739923 1.0
Rh Rh5 1 0.45130039 0.75000000 0.90260077 1.0
Rh Rh6 1 0.24980716 0.25000000 0.49961332 1.0
Rh Rh7 1 0.75019284 0.75000000 0.50038668 1.0
