HoZn2HgPd2
High-Entropy Materials HEAMP-ID: mp-3247476 · Space group: Imm2 (#44)
Basic Information
Formula
HoZn2HgPd2
MP-ID
mp-3247476
Elements
4
Sites
6
Density
11.4225
g/cm³
Volume
103.10
ų
Cell a
5.1851
Å
Cell b
5.2312
Å
Cell c
5.2312
Å
α Angle
63.35
°
β Angle
60.29
°
γ Angle
60.29
°
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 |
|---|---|---|---|
| 20.29 | 4.3762 | 16.1 | (0,1,0) |
| 21.08 | 4.2151 | 1.4 | (1,1,1) |
| 23.59 | 3.7709 | 1.2 | (1,1,0) |
| 24.60 | 3.6191 | 2.5 | (0,1,1) |
| 32.60 | 2.7470 | 15.3 | (0,1,-1) |
| 34.34 | 2.6111 | 84.0 | (1,2,1) |
| 34.60 | 2.5925 | 29.7 | (2,1,1) |
| 39.14 | 2.3014 | 100.0 | (1,2,0) |
| 40.44 | 2.2305 | 65.4 | (2,2,1) |
| 40.85 | 2.2091 | 31.4 | (0,2,1) |
| 41.26 | 2.1881 | 24.7 | (0,2,0) |
| 41.27 | 2.1875 | 21.5 | (1,2,2) |
| 41.27 | 2.1875 | 21.5 | (1,-1,-1) |
| 42.91 | 2.1076 | 22.5 | (2,2,2) |
| 51.47 | 1.7754 | 1.6 | (0,2,-1) |
| 54.58 | 1.6815 | 2.4 | (2,3,2) |
| 54.91 | 1.6721 | 1.2 | (2,3,1) |
| 59.29 | 1.5585 | 17.7 | (1,3,0) |
| 61.35 | 1.5111 | 11.7 | (0,3,1) |
| 61.84 | 1.5004 | 15.7 | (3,3,2) |
| 62.60 | 1.4838 | 4.7 | (2,3,3) |
| 63.51 | 1.4648 | 17.0 | (2,3,0) |
| 63.81 | 1.4587 | 4.1 | (0,3,0) |
| 63.81 | 1.4587 | 4.1 | (0,0,3) |
Energy Properties
Formation Energy/atom
-0.63747
eV/atom
Energy/atom
-24.96934
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.9693
eV/atom
Volume/atom
17.18
ų
c/a Ratio
1.0089
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
0.6717
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.196%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3481
smaller = more stable mixing
VEC
11.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-19.228
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3247476
Reference Citation
The crystal structure and related material properties of HoZn2HgPd2 were obtained from the Materials Project database (MP-ID: mp-3247476, 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_HoZn2HgPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18507456
_cell_length_b 5.23115985
_cell_length_c 5.23115973
_cell_angle_alpha 63.35361876
_cell_angle_beta 60.29099610
_cell_angle_gamma 60.29099705
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoZn2HgPd2
_chemical_formula_sum 'Ho1 Zn2 Hg1 Pd2'
_cell_volume 103.09652716
_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 0.74297315 0.75702685 0.75702685 1.0
Zn Zn1 1 0.38057594 0.37019976 0.37019976 1.0
Zn Zn2 1 0.87902454 0.37019976 0.37019976 1.0
Hg Hg3 1 0.99410453 0.00589547 0.00589547 1.0
Pd Pd4 1 0.37666092 0.37397716 0.87270101 1.0
Pd Pd5 1 0.37666092 0.87270101 0.37397716 1.0
