Ho4Pd3PtPb2
High-Entropy Materials HEAMP-ID: mp-3253140 · Space group: Amm2 (#38)
Basic Information
Formula
Ho4Pd3PtPb2
MP-ID
mp-3253140
Elements
4
Sites
10
Density
11.9629
g/cm³
Volume
220.49
ų
Cell a
7.8186
Å
Cell b
7.8186
Å
Cell c
3.6069
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.82
°
Space Group
Amm2
Point Group
mm2
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.32 | 7.8185 | 6.7 | (1,0,0) |
| 16.06 | 5.5199 | 2.1 | (1,-1,0) |
| 22.75 | 3.9093 | 2.5 | (2,0,0) |
| 24.68 | 3.6069 | 6.8 | (0,0,1) |
| 25.44 | 3.5010 | 2.9 | (2,1,0) |
| 25.51 | 3.4922 | 3.1 | (2,-1,0) |
| 27.23 | 3.2752 | 1.2 | (1,0,1) |
| 29.56 | 3.0223 | 7.9 | (1,1,1) |
| 29.59 | 3.0194 | 12.8 | (1,-1,1) |
| 32.34 | 2.7686 | 20.3 | (2,2,0) |
| 32.44 | 2.7599 | 13.0 | (2,-2,0) |
| 33.81 | 2.6509 | 94.7 | (2,0,1) |
| 35.74 | 2.5122 | 99.4 | (2,1,1) |
| 35.79 | 2.5089 | 100.0 | (2,-1,1) |
| 36.30 | 2.4748 | 60.6 | (3,1,0) |
| 36.37 | 2.4701 | 66.1 | (3,-1,0) |
| 41.10 | 2.1962 | 4.7 | (2,2,1) |
| 41.59 | 2.1716 | 7.1 | (3,2,0) |
| 41.71 | 2.1653 | 7.7 | (3,-2,0) |
| 44.39 | 2.0406 | 7.2 | (3,1,1) |
| 44.45 | 2.0380 | 13.2 | (3,-1,1) |
| 46.46 | 1.9546 | 4.7 | (4,0,0) |
| 47.94 | 1.8977 | 6.3 | (4,1,0) |
| 48.01 | 1.8949 | 10.6 | (4,-1,0) |
Energy Properties
Formation Energy/atom
-0.98869
eV/atom
Energy/atom
-37.43517
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.4352
eV/atom
Volume/atom
22.05
ų
c/a Ratio
0.4613
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
Ho · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2799
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.6407
J/mol·K
Ω Parameter
5.3953
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.487%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5050
smaller = more stable mixing
VEC
9.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.089
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9232
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3253140
Reference Citation
The crystal structure and related material properties of Ho4Pd3PtPb2 were obtained from the Materials Project database (MP-ID: mp-3253140, 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_Ho4Pd3PtPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81857617
_cell_length_b 7.81857617
_cell_length_c 3.60691276
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.81940238
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho4Pd3PtPb2
_chemical_formula_sum 'Ho4 Pd3 Pt1 Pb2'
_cell_volume 220.48996258
_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 0.66444782 0.17373215 0.50000000 1.0
Ho Ho1 1 0.17539317 0.32460683 0.50000000 1.0
Ho Ho2 1 0.83105138 0.66894862 0.50000000 1.0
Ho Ho3 1 0.32626785 0.83555218 0.50000000 1.0
Pd Pd4 1 0.12637962 0.62406413 0.00000000 1.0
Pd Pd5 1 0.62980578 0.87019422 0.00000000 1.0
Pd Pd6 1 0.87593587 0.37362038 0.00000000 1.0
Pt Pt7 1 0.37754484 0.12245516 0.00000000 1.0
Pb Pb8 1 0.99317246 0.99999878 0.00000000 1.0
Pb Pb9 1 0.50000122 0.50682754 0.00000000 1.0
