SiRh
传统材料 TRAMP-ID: mp-10110 · Space group: Pm-3m (#221)
Basic Information
Formula
SiRh
MP-ID
mp-10110
Elements
2
Sites
2
Density
8.1946
g/cm³
Volume
26.54
ų
Cell a
2.9830
Å
Cell b
2.9830
Å
Cell c
2.9830
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
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 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.95 | 2.9830 | 44.4 | (1,0,0) |
| 42.87 | 2.1093 | 100.0 | (1,1,0) |
| 53.18 | 1.7222 | 11.8 | (1,1,1) |
| 62.25 | 1.4915 | 16.2 | (2,0,0) |
| 70.60 | 1.3340 | 14.6 | (2,1,0) |
| 78.55 | 1.2178 | 32.8 | (2,1,1) |
Energy Properties
Formation Energy/atom
-0.55685
eV/atom
Energy/atom
-17.01185
eV/atom
Energy above Hull
0.2840
eV/atom
Uncorrected Energy
-6.9267
eV/atom
Volume/atom
13.27
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
0.0029
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų
Elastic Properties
KVRH
209.057
GPa
GVRH
94.851
GPa
Young's Modulus E
247.172
GPa
Poisson Ratio ν
0.303
Pugh Ratio K/G
2.204
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-4.908
Lame λ
145.823
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.435
Family
Binary Alloy
Matrix Element
Si · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10110
Reference Citation
The crystal structure and related material properties of SiRh were obtained from the Materials Project database (MP-ID: mp-10110, 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_SiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98300800
_cell_length_b 2.98300800
_cell_length_c 2.98300800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiRh
_chemical_formula_sum 'Si1 Rh1'
_cell_volume 26.54380965
_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
Si Si0 1 0.50000000 0.50000000 0.50000000 1.0
Rh Rh1 1 0.00000000 0.00000000 0.00000000 1.0
