Yb5Pa3GePd24
High-Entropy Materials HEAMP-ID: mp-3295640 · Space group: Cm (#8)
Basic Information
Formula
Yb5Pa3GePd24
MP-ID
mp-3295640
Elements
4
Sites
33
Density
12.4310
g/cm³
Volume
559.04
ų
Cell a
8.2427
Å
Cell b
8.2427
Å
Cell c
8.2295
Å
α Angle
89.63
°
β Angle
89.63
°
γ Angle
89.09
°
Space Group
Cm
Point Group
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 |
|---|---|---|---|
| 15.08 | 5.8746 | 1.4 | (1,1,0) |
| 21.57 | 4.1208 | 7.7 | (2,0,0) |
| 21.60 | 4.1146 | 3.8 | (0,0,2) |
| 30.43 | 2.9373 | 3.6 | (2,2,0) |
| 30.61 | 2.9209 | 6.9 | (2,0,2) |
| 30.81 | 2.9024 | 6.7 | (2,0,-2) |
| 30.93 | 2.8909 | 3.2 | (2,-2,0) |
| 32.59 | 2.7472 | 1.7 | (3,0,0) |
| 37.46 | 2.4009 | 50.0 | (2,2,2) |
| 37.79 | 2.3805 | 50.2 | (2,2,-2) |
| 38.04 | 2.3654 | 100.0 | (2,-2,2) |
| 43.95 | 2.0604 | 69.5 | (4,0,0) |
| 44.01 | 2.0573 | 34.7 | (0,0,4) |
| 44.94 | 2.0171 | 1.8 | (3,2,2) |
| 45.30 | 2.0019 | 1.2 | (3,2,-2) |
| 49.12 | 1.8547 | 1.3 | (4,2,0) |
| 49.34 | 1.8470 | 1.3 | (4,0,2) |
| 49.39 | 1.8454 | 1.3 | (2,0,4) |
| 49.61 | 1.8376 | 1.4 | (4,0,-2) |
| 49.66 | 1.8360 | 1.4 | (2,0,-4) |
| 49.79 | 1.8312 | 1.4 | (4,-2,0) |
| 54.06 | 1.6963 | 1.0 | (4,2,2) |
| 54.44 | 1.6855 | 1.0 | (4,2,-2) |
| 54.76 | 1.6762 | 1.0 | (2,-2,4) |
Energy Properties
Formation Energy/atom
-0.88074
eV/atom
Energy/atom
-30.52127
eV/atom
Energy above Hull
0.0317
eV/atom
Uncorrected Energy
-30.5213
eV/atom
Volume/atom
16.94
ų
c/a Ratio
0.9984
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1428
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000260
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.727
Element Family
4d-TM
Solute Fraction
0.273
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8415
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.9960
J/mol·K
Ω Parameter
10.1069
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.931%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4162
smaller = more stable mixing
VEC
10.467
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.177
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6070
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295640
Reference Citation
The crystal structure and related material properties of Yb5Pa3GePd24 were obtained from the Materials Project database (MP-ID: mp-3295640, 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…
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Raw CIF Data
# generated using pymatgen
data_Yb5Pa3GePd24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24271611
_cell_length_b 8.24271611
_cell_length_c 8.22953772
_cell_angle_alpha 89.63011487
_cell_angle_beta 89.63011487
_cell_angle_gamma 89.08570746
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb5Pa3GePd24
_chemical_formula_sum 'Yb5 Pa3 Ge1 Pd24'
_cell_volume 559.04016609
_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 0.74800056 0.24843234 0.74839883 1.0
Yb Yb1 1 0.25381079 0.25381079 0.75003143 1.0
Yb Yb2 1 0.24959432 0.75069093 0.25239725 1.0
Yb Yb3 1 0.24843234 0.74800056 0.74839883 1.0
Yb Yb4 1 0.75069093 0.24959432 0.25239725 1.0
Pa Pa5 1 0.25909937 0.25909937 0.26045160 1.0
Pa Pa6 1 0.73951820 0.73951820 0.74391447 1.0
Pa Pa7 1 0.74276291 0.74276291 0.25473163 1.0
Ge Ge8 1 0.00816319 0.00816319 0.99145261 1.0
Pd Pd9 1 0.25897667 0.50086700 0.00798061 1.0
Pd Pd10 1 0.74092638 0.50175333 0.00104468 1.0
Pd Pd11 1 0.00653185 0.25926444 0.49600860 1.0
Pd Pd12 1 0.50086700 0.25897667 0.00798061 1.0
Pd Pd13 1 0.99040686 0.73984421 0.49717524 1.0
Pd Pd14 1 0.50175333 0.74092638 0.00104468 1.0
Pd Pd15 1 0.50323205 0.99812204 0.25863637 1.0
Pd Pd16 1 0.25926444 0.00653185 0.49600860 1.0
Pd Pd17 1 0.50324727 0.99255511 0.74125627 1.0
Pd Pd18 1 0.73984421 0.99040686 0.49717524 1.0
Pd Pd19 1 0.99812204 0.50323205 0.25863637 1.0
Pd Pd20 1 0.99255511 0.50324727 0.74125627 1.0
Pd Pd21 1 0.25152564 0.49971822 0.49865390 1.0
Pd Pd22 1 0.74557355 0.49872306 0.49922490 1.0
Pd Pd23 1 0.49971822 0.25152564 0.49865390 1.0
Pd Pd24 1 0.49872306 0.74557355 0.49922490 1.0
Pd Pd25 1 0.50168447 0.50168447 0.25422123 1.0
Pd Pd26 1 0.50130656 0.50130656 0.74920870 1.0
Pd Pd27 1 0.29322767 0.00531325 0.00363685 1.0
Pd Pd28 1 0.71784013 0.99267583 0.99933160 1.0
Pd Pd29 1 0.00531325 0.29322767 0.00363685 1.0
Pd Pd30 1 0.99267583 0.71784013 0.99933160 1.0
Pd Pd31 1 0.00026003 0.00026003 0.28283404 1.0
Pd Pd32 1 0.99635376 0.99635376 0.70566812 1.0
