Yb4Si10PdPt5
High-Entropy Materials HEAMP-ID: mp-3296426 · Space group: I222 (#23)
Basic Information
Formula
Yb4Si10PdPt5
MP-ID
mp-3296426
Elements
4
Sites
20
Density
10.0854
g/cm³
Volume
338.33
ų
Cell a
8.1721
Å
Cell b
8.1721
Å
Cell c
8.1721
Å
α Angle
137.85
°
β Angle
104.62
°
γ Angle
90.36
°
Space Group
I222
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 11.72 | 7.5488 | 4.5 | (0,1,-1) |
| 15.38 | 5.7605 | 1.5 | (1,1,-1) |
| 16.93 | 5.2356 | 1.1 | (1,0,-1) |
| 17.75 | 4.9963 | 1.3 | (1,-1,1) |
| 23.38 | 3.8043 | 2.0 | (1,1,-2) |
| 23.57 | 3.7744 | 5.4 | (0,2,-2) |
| 24.63 | 3.6146 | 11.5 | (2,-1,0) |
| 24.63 | 3.6146 | 11.5 | (1,-2,1) |
| 24.84 | 3.5847 | 32.9 | (1,2,-2) |
| 27.88 | 3.1998 | 19.1 | (1,-2,2) |
| 30.42 | 2.9388 | 24.5 | (1,-1,-1) |
| 31.05 | 2.8803 | 22.3 | (2,2,-2) |
| 32.70 | 2.7386 | 6.8 | (1,0,-2) |
| 32.70 | 2.7386 | 20.3 | (2,-1,-1) |
| 33.14 | 2.7036 | 2.9 | (1,2,-3) |
| 34.25 | 2.6178 | 2.1 | (2,0,-2) |
| 34.25 | 2.6178 | 2.1 | (0,2,0) |
| 34.65 | 2.5888 | 100.0 | (0,2,-3) |
| 35.44 | 2.5331 | 16.4 | (0,0,2) |
| 35.44 | 2.5331 | 16.4 | (2,-2,0) |
| 35.68 | 2.5163 | 2.1 | (0,3,-3) |
| 35.99 | 2.4953 | 30.5 | (1,3,-3) |
| 38.84 | 2.3188 | 1.1 | (3,-1,-1) |
| 38.84 | 2.3188 | 1.1 | (1,-3,1) |
Energy Properties
Formation Energy/atom
-0.95570
eV/atom
Energy/atom
-26.66841
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.6684
eV/atom
Volume/atom
16.92
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
0.0003
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
1.1648
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6843
J/mol·K
Ω Parameter
1.4477
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.321%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4076
smaller = more stable mixing
VEC
7.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.135
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8402
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296426
Reference Citation
The crystal structure and related material properties of Yb4Si10PdPt5 were obtained from the Materials Project database (MP-ID: mp-3296426, 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_Yb4Si10PdPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17209403
_cell_length_b 8.17209336
_cell_length_c 8.17209463
_cell_angle_alpha 137.84724377
_cell_angle_beta 104.62068932
_cell_angle_gamma 90.35656089
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb4Si10PdPt5
_chemical_formula_sum 'Yb4 Si10 Pd1 Pt5'
_cell_volume 338.32807462
_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
Yb Yb0 1 0.10406018 0.87051773 0.23305874 1.0
Yb Yb1 1 0.89593982 0.12899856 0.76645755 1.0
Yb Yb2 1 0.63745899 0.37100144 0.26694126 1.0
Yb Yb3 1 0.36254101 0.62948227 0.73354245 1.0
Si Si4 1 0.00000000 0.75000000 0.75000000 1.0
Si Si5 1 0.00000000 0.25000000 0.25000000 1.0
Si Si6 1 0.27045828 0.02045828 0.75000000 1.0
Si Si7 1 0.72954172 0.47954172 0.75000000 1.0
Si Si8 1 0.72941029 0.97941029 0.25000000 1.0
Si Si9 1 0.27058971 0.52058971 0.25000000 1.0
Si Si10 1 0.76225323 0.61132534 0.14805426 1.0
Si Si11 1 0.23774677 0.38580103 0.84907211 1.0
Si Si12 1 0.46327108 0.11419897 0.35194574 1.0
Si Si13 1 0.53672892 0.88867466 0.65092789 1.0
Pd Pd14 1 0.50000000 0.75000000 0.25000000 1.0
Pt Pt15 1 0.50000000 0.25000000 0.75000000 1.0
Pt Pt16 1 0.02000789 0.63574019 0.38328515 1.0
Pt Pt17 1 0.97999211 0.36327725 0.61573230 1.0
Pt Pt18 1 0.25245504 0.13672275 0.11671485 1.0
Pt Pt19 1 0.74754496 0.86425981 0.88426770 1.0
