Ho4Al18RePd5
High-Entropy Materials HEAMP-ID: mp-3295635 · Space group: C2/m (#12)
Basic Information
Formula
Ho4Al18RePd5
MP-ID
mp-3295635
Elements
4
Sites
28
Density
6.5766
g/cm³
Volume
470.57
ų
Cell a
7.5657
Å
Cell b
7.5657
Å
Cell c
9.4194
Å
α Angle
89.78
°
β Angle
89.78
°
γ Angle
119.21
°
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 |
|---|---|---|---|
| 9.39 | 9.4192 | 3.9 | (0,0,0,1) |
| 13.41 | 6.6033 | 25.4 | (1,0,-1,0) |
| 13.57 | 6.5259 | 5.3 | (1,-1,0,0) |
| 16.34 | 5.4235 | 30.2 | (1,0,-1,1) |
| 16.44 | 5.3905 | 6.6 | (1,0,-1,-1) |
| 16.53 | 5.3642 | 1.9 | (1,-1,0,1) |
| 18.84 | 4.7096 | 2.3 | (0,0,0,2) |
| 23.24 | 3.8276 | 8.4 | (1,1,-2,0) |
| 23.29 | 3.8190 | 10.6 | (1,-1,0,2) |
| 23.52 | 3.7825 | 7.6 | (1,-2,1,0) |
| 23.52 | 3.7825 | 7.6 | (2,-1,-1,0) |
| 25.05 | 3.5554 | 18.8 | (1,1,-2,1) |
| 25.18 | 3.5368 | 10.0 | (1,1,-2,-1) |
| 25.34 | 3.5145 | 19.8 | (2,-1,-1,1) |
| 25.41 | 3.5055 | 35.9 | (2,-1,-1,-1) |
| 27.01 | 3.3016 | 4.3 | (2,0,-2,0) |
| 27.33 | 3.2630 | 5.7 | (2,-2,0,0) |
| 28.59 | 3.1221 | 1.8 | (0,2,-2,1) |
| 28.59 | 3.1221 | 1.8 | (2,0,-2,1) |
| 28.71 | 3.1095 | 10.5 | (2,0,-2,-1) |
| 29.97 | 2.9813 | 31.7 | (1,1,-2,2) |
| 30.20 | 2.9595 | 29.1 | (1,1,-2,-2) |
| 30.25 | 2.9544 | 59.8 | (2,-1,-1,2) |
| 30.36 | 2.9437 | 64.4 | (2,-1,-1,-2) |
Energy Properties
Formation Energy/atom
-0.73445
eV/atom
Energy/atom
-15.73146
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.7315
eV/atom
Volume/atom
16.81
ų
c/a Ratio
1.2450
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
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
0.5028
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.180%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2864
smaller = more stable mixing
VEC
5.536
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.217
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-3295635
Reference Citation
The crystal structure and related material properties of Ho4Al18RePd5 were obtained from the Materials Project database (MP-ID: mp-3295635, 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_Ho4Al18RePd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56566374
_cell_length_b 7.56566378
_cell_length_c 9.41943018
_cell_angle_alpha 89.78188792
_cell_angle_beta 89.78188847
_cell_angle_gamma 119.21317525
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho4Al18RePd5
_chemical_formula_sum 'Ho4 Al18 Re1 Pd5'
_cell_volume 470.57197453
_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 0.99427487 0.67494462 0.24822677 1.0
Ho Ho1 1 0.00572513 0.32505538 0.75177323 1.0
Ho Ho2 1 0.67494462 0.99427487 0.24822677 1.0
Ho Ho3 1 0.32505538 0.00572513 0.75177323 1.0
Al Al4 1 0.13261874 0.13261874 0.24726356 1.0
Al Al5 1 0.86738126 0.86738126 0.75273644 1.0
Al Al6 1 0.00065761 0.33175347 0.07506865 1.0
Al Al7 1 0.99934239 0.66824653 0.92493135 1.0
Al Al8 1 0.99784180 0.66229288 0.57861275 1.0
Al Al9 1 0.33770712 0.00215820 0.42138725 1.0
Al Al10 1 0.00215820 0.33770712 0.42138725 1.0
Al Al11 1 0.66229288 0.99784180 0.57861275 1.0
Al Al12 1 0.66824653 0.99934239 0.92493135 1.0
Al Al13 1 0.33175347 0.00065761 0.07506865 1.0
Al Al14 1 0.33423234 0.33423234 0.55423635 1.0
Al Al15 1 0.66576766 0.66576866 0.44576365 1.0
Al Al16 1 0.67010668 0.67010768 0.05076282 1.0
Al Al17 1 0.32989332 0.32989332 0.94923718 1.0
Al Al18 1 0.34288146 0.55015278 0.24957659 1.0
Al Al19 1 0.65711854 0.44984722 0.75042341 1.0
Al Al20 1 0.55015278 0.34288146 0.24957659 1.0
Al Al21 1 0.44984722 0.65711854 0.75042341 1.0
Re Re22 1 0.00000000 0.00000000 0.00000000 1.0
Pd Pd23 1 0.67227256 0.32772744 0.00000000 1.0
Pd Pd24 1 0.32772744 0.67227256 1.00000000 1.0
Pd Pd25 1 0.32722185 0.67277815 0.50000000 1.0
Pd Pd26 1 0.67277815 0.32722185 0.50000000 1.0
Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0
