HoZn2Cu2Pd
High-Entropy Materials HEAMP-ID: mp-3248488 · Space group: Imm2 (#44)
Basic Information
Formula
HoZn2Cu2Pd
MP-ID
mp-3248488
Elements
4
Sites
6
Density
9.8362
g/cm³
Volume
89.35
ų
Cell a
5.0095
Å
Cell b
5.0095
Å
Cell c
5.0457
Å
α Angle
59.76
°
β Angle
59.76
°
γ Angle
60.21
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 21.66 | 4.1026 | 13.2 | (0,0,1) |
| 21.72 | 4.0917 | 10.7 | (1,0,0) |
| 25.01 | 3.5607 | 7.5 | (1,0,1) |
| 25.28 | 3.5236 | 4.0 | (1,1,0) |
| 35.59 | 2.5229 | 32.9 | (1,1,2) |
| 35.73 | 2.5128 | 34.7 | (1,-1,0) |
| 35.85 | 2.5046 | 100.0 | (1,0,-1) |
| 35.85 | 2.5046 | 33.3 | (2,1,1) |
| 42.08 | 2.1475 | 98.7 | (1,0,2) |
| 42.08 | 2.1475 | 32.9 | (2,1,2) |
| 42.17 | 2.1428 | 31.5 | (1,-1,1) |
| 42.17 | 2.1428 | 94.5 | (1,-1,-1) |
| 42.45 | 2.1296 | 31.3 | (1,1,-1) |
| 42.45 | 2.1296 | 31.3 | (2,2,1) |
| 42.48 | 2.1281 | 62.8 | (2,1,0) |
| 44.15 | 2.0513 | 40.0 | (0,0,2) |
| 44.27 | 2.0459 | 41.6 | (2,0,0) |
| 56.23 | 1.6360 | 1.6 | (1,1,3) |
| 56.58 | 1.6267 | 1.5 | (1,0,-2) |
| 56.58 | 1.6267 | 1.5 | (3,2,2) |
| 56.66 | 1.6246 | 2.2 | (2,0,-1) |
| 64.09 | 1.4530 | 12.1 | (1,0,3) |
| 64.09 | 1.4530 | 12.1 | (3,2,3) |
| 64.28 | 1.4492 | 24.1 | (2,-1,-1) |
Energy Properties
Formation Energy/atom
-0.48482
eV/atom
Energy/atom
-16.37758
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.3776
eV/atom
Volume/atom
14.89
ų
c/a Ratio
1.0072
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
Zn · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
1.2197
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.688%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2994
smaller = more stable mixing
VEC
11.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.576
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3248488
Reference Citation
The crystal structure and related material properties of HoZn2Cu2Pd were obtained from the Materials Project database (MP-ID: mp-3248488, 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_HoZn2Cu2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00944539
_cell_length_b 5.00944550
_cell_length_c 5.04570910
_cell_angle_alpha 59.76025034
_cell_angle_beta 59.76024959
_cell_angle_gamma 60.21326483
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoZn2Cu2Pd
_chemical_formula_sum 'Ho1 Zn2 Cu2 Pd1'
_cell_volume 89.34970216
_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 0.24667586 0.24667586 0.25332414 1.0
Zn Zn1 1 0.62845446 0.62845446 0.62594492 1.0
Zn Zn2 1 0.62845446 0.62845446 0.11714615 1.0
Cu Cu3 1 0.62494747 0.12482585 0.62511284 1.0
Cu Cu4 1 0.12482585 0.62494747 0.62511284 1.0
Pd Pd5 1 0.99664090 0.99664090 0.00335910 1.0
