HoPd4Pt
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3248145 · Space group: Cmmm (#65)
Basic Information
Formula
HoPd4Pt
MP-ID
mp-3248145
Elements
3
Sites
6
Density
13.2781
g/cm³
Volume
98.26
ų
Cell a
6.3120
Å
Cell b
6.3120
Å
Cell c
4.0615
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
142.61
°
Space Group
Cmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.82 | 5.9790 | 5.7 | (1,-1,0) |
| 29.89 | 2.9895 | 2.3 | (2,-2,0) |
| 32.11 | 2.7875 | 5.6 | (1,0,1) |
| 38.69 | 2.3272 | 100.0 | (2,-1,1) |
| 44.62 | 2.0307 | 16.7 | (0,0,2) |
| 44.80 | 2.0232 | 16.5 | (1,1,0) |
| 45.51 | 1.9930 | 15.6 | (3,-3,0) |
| 63.38 | 1.4675 | 1.5 | (4,-3,1) |
| 65.08 | 1.4333 | 10.8 | (1,1,2) |
| 65.64 | 1.4224 | 10.4 | (3,-3,2) |
| 65.77 | 1.4198 | 10.3 | (4,-2,0) |
| 78.23 | 1.2220 | 12.7 | (2,-1,3) |
| 78.48 | 1.2187 | 12.5 | (3,0,1) |
| 79.51 | 1.2055 | 11.9 | (5,-4,1) |
| 82.99 | 1.1636 | 10.9 | (4,-2,2) |
Energy Properties
Formation Energy/atom
-0.67015
eV/atom
Energy/atom
-30.03863
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.0386
eV/atom
Volume/atom
16.38
ų
c/a Ratio
0.6435
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Pd · 0.667
Element Family
4d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8676
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2129
J/mol·K
Ω Parameter
1.4994
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.767%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3686
smaller = more stable mixing
VEC
10.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.889
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7897
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.586
Family
Pd-rich Multi-Component
Matrix Element
Pd · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3248145
Reference Citation
The crystal structure and related material properties of HoPd4Pt were obtained from the Materials Project database (MP-ID: mp-3248145, 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_HoPd4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31198840
_cell_length_b 6.31198817
_cell_length_c 4.06146023
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.61055071
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoPd4Pt
_chemical_formula_sum 'Ho1 Pd4 Pt1'
_cell_volume 98.25789724
_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 0.00000000 0.00000000 0.00000000 1.0
Pd Pd1 1 0.33119869 0.66880131 0.00000000 1.0
Pd Pd2 1 0.66880131 0.33119869 0.00000000 1.0
Pd Pd3 1 0.82890672 0.17109328 0.50000000 1.0
Pd Pd4 1 0.17109328 0.82890672 0.50000000 1.0
Pt Pt5 1 0.50000000 0.50000000 0.50000000 1.0
