Ho4Al24Pd7Au2
高熵材料 HEAMP-ID: mp-3293631 · Space group: P-1 (#2)
Basic Information
Formula
Ho4Al24Pd7Au2
MP-ID
mp-3293631
Elements
4
Sites
37
Density
6.4491
g/cm³
Volume
629.84
ų
Cell a
7.5166
Å
Cell b
7.5428
Å
Cell c
13.0719
Å
α Angle
84.60
°
β Angle
79.09
°
γ Angle
59.94
°
Space Group
P-1
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 |
|---|---|---|---|
| 6.89 | 12.8357 | 1.3 | (0,0,1) |
| 13.56 | 6.5282 | 26.4 | (0,1,0) |
| 13.76 | 6.4339 | 33.1 | (1,1,0) |
| 13.80 | 6.4178 | 15.5 | (0,0,2) |
| 13.80 | 6.4165 | 3.4 | (1,0,0) |
| 14.35 | 6.1732 | 1.6 | (1,1,1) |
| 14.38 | 6.1599 | 6.5 | (1,0,1) |
| 15.22 | 5.8206 | 5.5 | (0,1,-1) |
| 15.23 | 5.8172 | 17.1 | (0,1,1) |
| 16.43 | 5.3946 | 4.2 | (1,0,-1) |
| 17.84 | 4.9713 | 20.9 | (1,1,2) |
| 19.40 | 4.5750 | 7.2 | (0,1,2) |
| 20.76 | 4.2786 | 28.0 | (0,0,3) |
| 21.13 | 4.2042 | 9.0 | (1,0,-2) |
| 23.00 | 3.8661 | 12.0 | (1,0,3) |
| 23.70 | 3.7541 | 48.8 | (1,2,0) |
| 23.77 | 3.7438 | 45.5 | (1,-1,0) |
| 23.79 | 3.7396 | 45.1 | (2,1,1) |
| 24.05 | 3.6998 | 6.7 | (1,2,1) |
| 24.11 | 3.6911 | 5.5 | (1,-1,1) |
| 24.12 | 3.6903 | 5.0 | (2,1,0) |
| 24.89 | 3.5773 | 1.5 | (0,1,3) |
| 26.33 | 3.3846 | 20.1 | (1,2,2) |
| 26.36 | 3.3808 | 22.0 | (2,1,-1) |
Energy Properties
Formation Energy/atom
-0.72201
eV/atom
Energy/atom
-15.72171
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.7217
eV/atom
Volume/atom
17.02
ų
c/a Ratio
1.7391
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0024
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.649
Element Family
PostTransition-Noble
Solute Fraction
0.351
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9940
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2641
J/mol·K
Ω Parameter
0.3702
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.277%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3371
smaller = more stable mixing
VEC
5.622
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-27.039
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7170
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293631
Reference Citation
The crystal structure and related material properties of Ho4Al24Pd7Au2 were obtained from the Materials Project database (MP-ID: mp-3293631, 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_Ho4Al24Pd7Au2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51655040
_cell_length_b 7.54282397
_cell_length_c 13.07186308
_cell_angle_alpha 84.59569929
_cell_angle_beta 79.09126709
_cell_angle_gamma 59.93871946
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho4Al24Pd7Au2
_chemical_formula_sum 'Ho4 Al24 Pd7 Au2'
_cell_volume 629.84330972
_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
Ho Ho0 1 0.39134698 0.16986137 0.80964436 1.0
Ho Ho1 1 0.60865302 0.83013863 0.19035564 1.0
Ho Ho2 1 0.73446866 0.49816080 0.81027134 1.0
Ho Ho3 1 0.26553134 0.50183920 0.18972866 1.0
Al Al4 1 0.68347155 0.83447372 0.94495630 1.0
Al Al5 1 0.31652845 0.16552628 0.05504370 1.0
Al Al6 1 0.14592471 0.83830276 0.56128047 1.0
Al Al7 1 0.85407529 0.16169724 0.43871953 1.0
Al Al8 1 0.48613327 0.16051401 0.55951792 1.0
Al Al9 1 0.51386673 0.83948599 0.44048208 1.0
Al Al10 1 0.22362267 0.15974856 0.32548859 1.0
Al Al11 1 0.77637733 0.84025144 0.67451141 1.0
Al Al12 1 0.43956527 0.50723964 0.67489447 1.0
Al Al13 1 0.56043473 0.49276036 0.32510553 1.0
Al Al14 1 0.10848350 0.15397671 0.67311714 1.0
Al Al15 1 0.89151650 0.84602329 0.32688286 1.0
Al Al16 1 0.35301571 0.49965174 0.94471115 1.0
Al Al17 1 0.64698429 0.50034826 0.05528885 1.0
Al Al18 1 0.01497704 0.16705676 0.95545805 1.0
Al Al19 1 0.98502296 0.83294324 0.04454195 1.0
Al Al20 1 0.19525542 0.49933604 0.43758934 1.0
Al Al21 1 0.80474458 0.50066396 0.56241066 1.0
Al Al22 1 0.73222764 0.16367994 0.18298822 1.0
Al Al23 1 0.26777236 0.83632006 0.81701178 1.0
Al Al24 1 0.05989280 0.63464428 0.81839833 1.0
Al Al25 1 0.94010720 0.36535572 0.18160167 1.0
Al Al26 1 0.85314495 0.04376724 0.81678789 1.0
Al Al27 1 0.14685505 0.95623276 0.18321211 1.0
Pd Pd28 1 0.65605751 0.17214141 0.99980304 1.0
Pd Pd29 1 0.34394249 0.82785859 0.00019696 1.0
Pd Pd30 1 0.53799245 0.16697972 0.36195849 1.0
Pd Pd31 1 0.46200755 0.83302028 0.63804151 1.0
Pd Pd32 1 0.77877559 0.17546547 0.63749796 1.0
Pd Pd33 1 0.22122441 0.82453453 0.36250204 1.0
Pd Pd34 1 0.00000000 0.50000000 0.00000000 1.0
Au Au35 1 0.11940262 0.49139547 0.63823922 1.0
Au Au36 1 0.88059738 0.50860453 0.36176078 1.0
