Y2Si5Rh3
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-9882 · Space group: C2/c (#15)
Basic Information
Formula
Y2Si5Rh3
MP-ID
mp-9882
Elements
3
Sites
20
Density
6.3969
g/cm³
Volume
325.50
ų
Cell a
8.0793
Å
Cell b
8.0793
Å
Cell c
5.6672
Å
α Angle
71.10
°
β Angle
71.10
°
γ Angle
93.41
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 15.07 | 5.8803 | 3.3 | (1,-1,0) |
| 17.38 | 5.1013 | 1.3 | (1,0,1) |
| 18.17 | 4.8836 | 4.6 | (1,1,0) |
| 23.68 | 3.7569 | 10.8 | (2,0,0) |
| 24.47 | 3.6381 | 56.6 | (2,-1,0) |
| 24.73 | 3.6004 | 15.2 | (1,0,-1) |
| 25.75 | 3.4592 | 8.5 | (2,1,1) |
| 28.45 | 3.1377 | 16.1 | (2,1,0) |
| 30.40 | 2.9402 | 27.1 | (2,-2,0) |
| 31.61 | 2.8308 | 23.4 | (1,1,2) |
| 33.44 | 2.6794 | 14.3 | (1,0,2) |
| 34.23 | 2.6197 | 28.5 | (2,1,2) |
| 34.70 | 2.5851 | 72.7 | (2,0,-1) |
| 35.18 | 2.5507 | 8.6 | (2,0,2) |
| 35.64 | 2.5189 | 52.2 | (3,-1,0) |
| 35.84 | 2.5057 | 82.4 | (3,1,1) |
| 35.96 | 2.4977 | 42.6 | (0,0,2) |
| 36.81 | 2.4418 | 5.3 | (2,2,0) |
| 37.42 | 2.4033 | 17.3 | (2,2,2) |
| 39.19 | 2.2989 | 2.0 | (1,-1,2) |
| 39.40 | 2.2868 | 10.8 | (3,-2,0) |
| 39.98 | 2.2551 | 3.0 | (3,1,0) |
| 40.03 | 2.2523 | 1.2 | (2,-1,2) |
| 40.31 | 2.2376 | 8.5 | (2,1,-1) |
Energy Properties
Formation Energy/atom
-0.96597
eV/atom
Energy/atom
-7.18974
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.7153
eV/atom
Volume/atom
16.27
ų
c/a Ratio
0.7015
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5605
J/mol·K
Ω Parameter
0.4810
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.681%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3679
smaller = more stable mixing
VEC
5.300
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-33.363
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9372
SS Former
0
Phase Tendency
AM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.512
Family
Interstitial Alloy
Matrix Element
Si · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9882
Reference Citation
The crystal structure and related material properties of Y2Si5Rh3 were obtained from the Materials Project database (MP-ID: mp-9882, 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_Y2Si5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07924577
_cell_length_b 8.07924577
_cell_length_c 5.66723710
_cell_angle_alpha 71.10362945
_cell_angle_beta 71.10362945
_cell_angle_gamma 93.40971721
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2Si5Rh3
_chemical_formula_sum 'Y4 Si10 Rh6'
_cell_volume 325.49551090
_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 0.86614948 0.59903292 0.76160340 1.0
Y Y1 1 0.13385052 0.40096708 0.23839660 1.0
Y Y2 1 0.40096708 0.13385052 0.73839660 1.0
Y Y3 1 0.59903292 0.86614948 0.26160340 1.0
Si Si4 1 0.77573623 0.22426377 0.75000000 1.0
Si Si5 1 0.22426377 0.77573623 0.25000000 1.0
Si Si6 1 0.51148863 0.48851137 0.75000000 1.0
Si Si7 1 0.48851137 0.51148863 0.25000000 1.0
Si Si8 1 0.21116849 0.78883151 0.75000000 1.0
Si Si9 1 0.78883151 0.21116849 0.25000000 1.0
Si Si10 1 0.26568955 0.05633553 0.33947959 1.0
Si Si11 1 0.73431045 0.94366447 0.66052041 1.0
Si Si12 1 0.94366447 0.73431045 0.16052041 1.0
Si Si13 1 0.05633553 0.26568955 0.83947959 1.0
Rh Rh14 1 0.53826873 0.25929949 0.12613818 1.0
Rh Rh15 1 0.74070051 0.46173127 0.37386182 1.0
Rh Rh16 1 0.46173127 0.74070051 0.87386182 1.0
Rh Rh17 1 0.25929949 0.53826873 0.62613818 1.0
Rh Rh18 1 0.99771344 0.00228656 0.25000000 1.0
Rh Rh19 1 0.00228656 0.99771344 0.75000000 1.0
