Y4Al24Pd8Au
High-Entropy Materials HEAMP-ID: mp-3292170 · Space group: P1 (#1)
Basic Information
Formula
Y4Al24Pd8Au
MP-ID
mp-3292170
Elements
4
Sites
37
Density
5.3976
g/cm³
Volume
631.13
ų
Cell a
7.5186
Å
Cell b
7.5347
Å
Cell c
13.1105
Å
α Angle
84.58
°
β Angle
79.06
°
γ Angle
59.94
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 6.87 | 12.8722 | 7.5 | (0,0,1) |
| 13.58 | 6.5212 | 8.8 | (0,1,0) |
| 13.76 | 6.4361 | 2.6 | (0,0,2) |
| 13.77 | 6.4309 | 11.8 | (1,1,0) |
| 13.80 | 6.4178 | 2.2 | (1,0,0) |
| 14.34 | 6.1746 | 3.0 | (1,1,1) |
| 14.37 | 6.1650 | 4.2 | (1,0,1) |
| 15.23 | 5.8190 | 2.5 | (0,1,-1) |
| 15.24 | 5.8156 | 6.5 | (0,1,1) |
| 16.42 | 5.3981 | 1.4 | (1,0,-1) |
| 17.82 | 4.9783 | 6.1 | (1,1,2) |
| 19.37 | 4.5825 | 1.3 | (0,1,-2) |
| 19.38 | 4.5791 | 2.7 | (0,1,2) |
| 20.70 | 4.2907 | 77.0 | (0,0,3) |
| 21.10 | 4.2098 | 3.1 | (1,0,-2) |
| 22.95 | 3.8753 | 3.2 | (1,0,3) |
| 23.73 | 3.7500 | 64.4 | (1,2,0) |
| 23.78 | 3.7422 | 62.3 | (1,-1,0) |
| 23.78 | 3.7411 | 62.1 | (2,1,1) |
| 25.37 | 3.5112 | 3.3 | (1,2,-1) |
| 25.42 | 3.5036 | 3.3 | (1,-1,-1) |
| 25.44 | 3.5014 | 3.3 | (2,1,2) |
| 26.34 | 3.3842 | 10.4 | (1,2,2) |
| 26.35 | 3.3820 | 11.3 | (2,1,-1) |
Energy Properties
Formation Energy/atom
-0.74350
eV/atom
Energy/atom
-13.63791
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.6379
eV/atom
Volume/atom
17.06
ų
c/a Ratio
1.7437
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0097
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.649
Element Family
PostTransition-Noble
Solute Fraction
0.351
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9500
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.8983
J/mol·K
Ω Parameter
0.2114
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.358%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3207
smaller = more stable mixing
VEC
4.730
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-46.007
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6853
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292170
Reference Citation
The crystal structure and related material properties of Y4Al24Pd8Au were obtained from the Materials Project database (MP-ID: mp-3292170, 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_Y4Al24Pd8Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51864014
_cell_length_b 7.53465704
_cell_length_c 13.11048390
_cell_angle_alpha 84.58030528
_cell_angle_beta 79.05944927
_cell_angle_gamma 59.93957740
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y4Al24Pd8Au
_chemical_formula_sum 'Y4 Al24 Pd8 Au1'
_cell_volume 631.13346074
_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
Y Y0 1 0.39207900 0.16947754 0.80940994 1.0
Y Y1 1 0.60640204 0.83156133 0.19107176 1.0
Y Y2 1 0.73429906 0.49828195 0.80936022 1.0
Y Y3 1 0.26710266 0.50145730 0.19059971 1.0
Al Al4 1 0.68362391 0.83426833 0.94548794 1.0
Al Al5 1 0.31486156 0.16616920 0.05550794 1.0
Al Al6 1 0.14642153 0.83857482 0.55923371 1.0
Al Al7 1 0.85424053 0.16672894 0.43754936 1.0
Al Al8 1 0.48672503 0.16033307 0.55803573 1.0
Al Al9 1 0.52071314 0.83305836 0.43946927 1.0
Al Al10 1 0.21725868 0.16494427 0.32905527 1.0
Al Al11 1 0.77777393 0.83961646 0.67270518 1.0
Al Al12 1 0.44019554 0.50776265 0.67288224 1.0
Al Al13 1 0.56407895 0.49274184 0.32868406 1.0
Al Al14 1 0.10898385 0.15319301 0.67098053 1.0
Al Al15 1 0.89032678 0.84080943 0.33026275 1.0
Al Al16 1 0.35241348 0.49999040 0.94515746 1.0
Al Al17 1 0.64844745 0.49942319 0.05562258 1.0
Al Al18 1 0.01437467 0.16645608 0.95693848 1.0
Al Al19 1 0.98496457 0.83317384 0.04477146 1.0
Al Al20 1 0.18818082 0.49911744 0.43687905 1.0
Al Al21 1 0.80737015 0.50027507 0.55793713 1.0
Al Al22 1 0.73417697 0.16360169 0.18356543 1.0
Al Al23 1 0.26699776 0.83643141 0.81671490 1.0
Al Al24 1 0.06018959 0.63459215 0.81837093 1.0
Al Al25 1 0.93857273 0.36903953 0.18507898 1.0
Al Al26 1 0.85400047 0.04311909 0.81664383 1.0
Al Al27 1 0.14435310 0.95825849 0.18360434 1.0
Pd Pd28 1 0.88026705 0.50722815 0.36197558 1.0
Pd Pd29 1 0.65634516 0.17172832 0.99977173 1.0
Pd Pd30 1 0.34365757 0.82787160 0.99987035 1.0
Pd Pd31 1 0.53807913 0.16693661 0.36203631 1.0
Pd Pd32 1 0.46184719 0.83320327 0.63747625 1.0
Pd Pd33 1 0.77932808 0.17457366 0.63701332 1.0
Pd Pd34 1 0.22096297 0.82495780 0.36236111 1.0
Pd Pd35 1 0.00004379 0.49980165 0.99994990 1.0
Au Au36 1 0.12034013 0.49124206 0.63796428 1.0
