Basic Information
Formula
Y2Si2Rh
MP-ID
mp-31011
Elements
3
Sites
10
Density
5.6982
g/cm³
Volume
196.35
ų
Cell a
4.1978
Å
Cell b
5.7134
Å
Cell c
9.0587
Å
α Angle
82.63
°
β Angle
76.60
°
γ Angle
68.45
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.05 | 8.8022 | 43.6 | (0,0,1) |
| 16.70 | 5.3078 | 16.3 | (0,1,0) |
| 19.11 | 4.6442 | 10.2 | (0,1,1) |
| 19.94 | 4.4526 | 2.0 | (0,1,-1) |
| 23.25 | 3.8253 | 20.4 | (1,1,1) |
| 23.43 | 3.7971 | 1.7 | (1,1,0) |
| 25.67 | 3.4701 | 2.0 | (0,1,2) |
| 26.93 | 3.3114 | 12.0 | (0,1,-2) |
| 27.67 | 3.2243 | 39.5 | (1,0,2) |
| 30.47 | 2.9341 | 10.8 | (0,0,3) |
| 33.32 | 2.6889 | 34.0 | (1,-1,0) |
| 33.70 | 2.6597 | 33.6 | (1,-1,1) |
| 33.70 | 2.6597 | 33.6 | (1,2,0) |
| 33.77 | 2.6539 | 11.3 | (0,2,0) |
| 33.99 | 2.6376 | 100.0 | (1,1,3) |
| 34.21 | 2.6213 | 16.9 | (0,1,3) |
| 34.61 | 2.5921 | 21.6 | (1,0,3) |
| 34.84 | 2.5751 | 22.6 | (0,2,1) |
| 35.66 | 2.5176 | 20.6 | (0,1,-3) |
| 36.05 | 2.4917 | 3.2 | (1,2,2) |
| 37.09 | 2.4237 | 69.6 | (1,2,-1) |
| 38.78 | 2.3221 | 20.8 | (0,2,2) |
| 40.52 | 2.2263 | 21.4 | (0,2,-2) |
| 41.02 | 2.2006 | 30.6 | (0,0,4) |
Energy Properties
Formation Energy/atom
-0.95961
eV/atom
Energy/atom
-7.20624
eV/atom
Energy above Hull
0.0013
eV/atom
Uncorrected Energy
-17.4991
eV/atom
Volume/atom
19.63
ų
c/a Ratio
2.1580
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1398
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.005800
μB/ų
Elastic Properties
KVRH
106.197
GPa
GVRH
64.641
GPa
Young's Modulus E
161.213
GPa
Poisson Ratio ν
0.247
Pugh Ratio K/G
1.643
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.137
Lame λ
63.103
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.400
Element Family
N/A
Solute Fraction
0.600
Interstitial Fraction
0.400
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.467
Family
Y-rich Multi-Component
Matrix Element
Y · 0.400
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31011
Reference Citation
The crystal structure and related material properties of Y2Si2Rh were obtained from the Materials Project database (MP-ID: mp-31011, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Y2Si2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19783053
_cell_length_b 5.71336551
_cell_length_c 9.05872712
_cell_angle_alpha 82.63402554
_cell_angle_beta 76.60276404
_cell_angle_gamma 68.44653289
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2Si2Rh
_chemical_formula_sum 'Y4 Si4 Rh2'
_cell_volume 196.34818596
_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
Y Y0 1 0.99682567 0.32883941 0.67751025 1.0
Y Y1 1 0.81392488 0.26757230 0.10457794 1.0
Y Y2 1 0.00317433 0.67116059 0.32248975 1.0
Y Y3 1 0.18607512 0.73242770 0.89542206 1.0
Si Si4 1 0.64239620 0.28016917 0.43503842 1.0
Si Si5 1 0.50617217 0.86486281 0.12279386 1.0
Si Si6 1 0.35760380 0.71983083 0.56496158 1.0
Si Si7 1 0.49382783 0.13513719 0.87720614 1.0
Rh Rh8 1 0.27148372 0.07794740 0.37908716 1.0
Rh Rh9 1 0.72851628 0.92205260 0.62091284 1.0
