Ho4Al18Pd5W
High-Entropy Materials HEAMP-ID: mp-3292770 · Space group: C2/m (#12)
Basic Information
Formula
Ho4Al18Pd5W
MP-ID
mp-3292770
Elements
4
Sites
28
Density
6.5102
g/cm³
Volume
474.77
ų
Cell a
7.5640
Å
Cell b
7.5640
Å
Cell c
9.4503
Å
α Angle
89.50
°
β Angle
89.50
°
γ Angle
118.57
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 9.36 | 9.4489 | 4.0 | (0,0,0,1) |
| 13.33 | 6.6420 | 26.9 | (1,0,-1,0) |
| 13.62 | 6.5030 | 4.1 | (1,-1,0,0) |
| 16.20 | 5.4715 | 30.9 | (1,0,-1,1) |
| 16.42 | 5.3970 | 7.0 | (1,0,-1,-1) |
| 16.55 | 5.3569 | 1.5 | (1,-1,0,1) |
| 18.78 | 4.7245 | 2.3 | (0,0,0,2) |
| 23.02 | 3.8627 | 9.3 | (1,1,-2,0) |
| 23.26 | 3.8237 | 1.1 | (1,0,-1,-2) |
| 23.27 | 3.8222 | 8.8 | (1,-1,0,2) |
| 23.53 | 3.7807 | 14.3 | (2,-1,-1,0) |
| 24.75 | 3.5969 | 19.8 | (1,1,-2,1) |
| 25.05 | 3.5544 | 11.2 | (1,1,-2,-1) |
| 25.30 | 3.5202 | 19.1 | (2,-1,-1,1) |
| 25.45 | 3.5002 | 33.5 | (2,-1,-1,-1) |
| 26.85 | 3.3210 | 3.5 | (2,0,-2,0) |
| 27.43 | 3.2515 | 6.9 | (2,-2,0,0) |
| 28.36 | 3.1475 | 1.5 | (2,0,-2,1) |
| 28.36 | 3.1475 | 1.5 | (0,2,-2,1) |
| 28.62 | 3.1189 | 9.6 | (2,0,-2,-1) |
| 29.62 | 3.0156 | 31.1 | (1,1,-2,2) |
| 30.13 | 2.9659 | 26.6 | (1,1,-2,-2) |
| 30.15 | 2.9639 | 60.5 | (2,-1,-1,2) |
| 30.40 | 2.9400 | 32.9 | (2,-1,-1,-2) |
Energy Properties
Formation Energy/atom
-0.68329
eV/atom
Energy/atom
-15.64305
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.6431
eV/atom
Volume/atom
16.96
ų
c/a Ratio
1.2494
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0489
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000100
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9887
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2198
J/mol·K
Ω Parameter
0.4976
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.142%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3112
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.577
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7132
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292770
Reference Citation
The crystal structure and related material properties of Ho4Al18Pd5W were obtained from the Materials Project database (MP-ID: mp-3292770, 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_Ho4Al18Pd5W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56399022
_cell_length_b 7.56398948
_cell_length_c 9.45027030
_cell_angle_alpha 89.50406135
_cell_angle_beta 89.50406480
_cell_angle_gamma 118.57337927
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho4Al18Pd5W
_chemical_formula_sum 'Ho4 Al18 Pd5 W1'
_cell_volume 474.76618566
_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 0.99471033 0.68145236 0.24690445 1.0
Ho Ho1 1 0.00528967 0.31854764 0.75309555 1.0
Ho Ho2 1 0.68145236 0.99471033 0.24690445 1.0
Ho Ho3 1 0.31854764 0.00528967 0.75309555 1.0
Al Al4 1 0.13748644 0.13748644 0.24910212 1.0
Al Al5 1 0.86251356 0.86251356 0.75089788 1.0
Al Al6 1 0.00521362 0.33773531 0.07704294 1.0
Al Al7 1 0.99478638 0.66226469 0.92295706 1.0
Al Al8 1 0.99773334 0.66003163 0.57844893 1.0
Al Al9 1 0.33996837 0.00226666 0.42155107 1.0
Al Al10 1 0.00226666 0.33996837 0.42155107 1.0
Al Al11 1 0.66003163 0.99773334 0.57844893 1.0
Al Al12 1 0.66226469 0.99478638 0.92295706 1.0
Al Al13 1 0.33773531 0.00521362 0.07704294 1.0
Al Al14 1 0.33341041 0.33341041 0.55035538 1.0
Al Al15 1 0.66658959 0.66659059 0.44964462 1.0
Al Al16 1 0.66669427 0.66669527 0.04937472 1.0
Al Al17 1 0.33330573 0.33330573 0.95062528 1.0
Al Al18 1 0.34348155 0.55222556 0.25083178 1.0
Al Al19 1 0.65651845 0.44777444 0.74916822 1.0
Al Al20 1 0.55222556 0.34348155 0.25083178 1.0
Al Al21 1 0.44777444 0.65651845 0.74916822 1.0
Pd Pd22 1 0.67295892 0.32704108 0.00000000 1.0
Pd Pd23 1 0.32704108 0.67295892 1.00000000 1.0
Pd Pd24 1 0.32760635 0.67239365 0.50000000 1.0
Pd Pd25 1 0.67239365 0.32760635 0.50000000 1.0
Pd Pd26 1 0.00000000 0.00000000 0.50000000 1.0
W W27 1 0.00000000 0.00000000 0.00000000 1.0
