Pr8SbPd24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292696 · Space group: Pm-3m (#221)
Basic Information
Formula
Pr8SbPd24
MP-ID
mp-3292696
Elements
3
Sites
33
Density
10.2325
g/cm³
Volume
617.17
ų
Cell a
8.5140
Å
Cell b
8.5140
Å
Cell c
8.5140
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
Yes
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 29.68 | 3.0102 | 6.8 | (2,2,0) |
| 31.52 | 2.8380 | 3.1 | (2,2,1) |
| 33.28 | 2.6924 | 1.7 | (3,1,0) |
| 36.56 | 2.4578 | 100.0 | (2,2,2) |
| 38.11 | 2.3614 | 6.5 | (3,2,0) |
| 39.61 | 2.2755 | 3.3 | (3,2,1) |
| 42.47 | 2.1285 | 55.3 | (4,0,0) |
| 43.84 | 2.0650 | 7.7 | (4,1,0) |
| 45.18 | 2.0068 | 2.4 | (4,1,1) |
| 47.77 | 1.9038 | 1.5 | (4,2,0) |
| 50.26 | 1.8152 | 3.0 | (3,3,2) |
| 53.84 | 1.7028 | 1.0 | (5,0,0) |
| 58.37 | 1.5810 | 1.5 | (5,2,0) |
| 61.62 | 1.5051 | 30.8 | (4,4,0) |
| 62.69 | 1.4821 | 1.6 | (5,2,2) |
| 65.81 | 1.4190 | 1.9 | (4,4,2) |
| 69.87 | 1.3462 | 3.5 | (6,2,0) |
| 70.87 | 1.3297 | 2.6 | (6,2,1) |
| 73.83 | 1.2835 | 29.0 | (6,2,2) |
| 74.80 | 1.2692 | 3.4 | (5,4,2) |
| 75.78 | 1.2553 | 1.6 | (6,3,1) |
| 77.71 | 1.2289 | 8.7 | (4,4,4) |
| 78.67 | 1.2163 | 5.3 | (7,0,0) |
| 83.42 | 1.1586 | 1.5 | (7,2,1) |
Energy Properties
Formation Energy/atom
-0.81202
eV/atom
Energy/atom
-25.41774
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.4177
eV/atom
Volume/atom
18.70
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
0.0038
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
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
0.6811
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.6626
J/mol·K
Ω Parameter
15.3463
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.755%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4567
smaller = more stable mixing
VEC
8.152
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.609
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6200
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.619
Family
Pd-rich Multi-Component
Matrix Element
Pd · 0.727
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292696
Reference Citation
The crystal structure and related material properties of Pr8SbPd24 were obtained from the Materials Project database (MP-ID: mp-3292696, 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_Pr8SbPd24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51403939
_cell_length_b 8.51403939
_cell_length_c 8.51403939
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr8SbPd24
_chemical_formula_sum 'Pr8 Sb1 Pd24'
_cell_volume 617.17306761
_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
Pr Pr0 1 0.74862470 0.74862470 0.25137530 1.0
Pr Pr1 1 0.74862470 0.25137530 0.74862470 1.0
Pr Pr2 1 0.25137530 0.74862470 0.74862470 1.0
Pr Pr3 1 0.74862470 0.74862470 0.74862470 1.0
Pr Pr4 1 0.74862470 0.25137530 0.25137530 1.0
Pr Pr5 1 0.25137530 0.25137530 0.74862470 1.0
Pr Pr6 1 0.25137530 0.74862470 0.25137530 1.0
Pr Pr7 1 0.25137530 0.25137530 0.25137530 1.0
Sb Sb8 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd9 1 0.00000000 0.00000000 0.31473057 1.0
Pd Pd10 1 0.73244102 0.00000000 0.50000000 1.0
Pd Pd11 1 0.73244102 0.50000000 0.00000000 1.0
Pd Pd12 1 0.50000000 0.00000000 0.73244102 1.0
Pd Pd13 1 0.00000000 0.73244102 0.50000000 1.0
Pd Pd14 1 0.50000000 0.00000000 0.26755898 1.0
Pd Pd15 1 0.00000000 0.26755898 0.50000000 1.0
Pd Pd16 1 0.50000000 0.73244102 0.00000000 1.0
Pd Pd17 1 0.25561055 0.50000000 0.50000000 1.0
Pd Pd18 1 0.50000000 0.50000000 0.74438945 1.0
Pd Pd19 1 0.50000000 0.50000000 0.25561055 1.0
Pd Pd20 1 0.50000000 0.25561055 0.50000000 1.0
Pd Pd21 1 0.50000000 0.74438945 0.50000000 1.0
Pd Pd22 1 0.74438945 0.50000000 0.50000000 1.0
Pd Pd23 1 0.31473057 0.00000000 0.00000000 1.0
Pd Pd24 1 0.00000000 0.00000000 0.68526943 1.0
Pd Pd25 1 0.00000000 0.50000000 0.26755898 1.0
Pd Pd26 1 0.00000000 0.31473057 0.00000000 1.0
Pd Pd27 1 0.00000000 0.68526943 0.00000000 1.0
Pd Pd28 1 0.68526943 0.00000000 0.00000000 1.0
Pd Pd29 1 0.26755898 0.50000000 0.00000000 1.0
Pd Pd30 1 0.26755898 0.00000000 0.50000000 1.0
Pd Pd31 1 0.00000000 0.50000000 0.73244102 1.0
Pd Pd32 1 0.50000000 0.26755898 0.00000000 1.0
