HoZn2CdNi2
High-Entropy Materials HEAMP-ID: mp-3252330 · Space group: Imm2 (#44)
Basic Information
Formula
HoZn2CdNi2
MP-ID
mp-3252330
Elements
4
Sites
6
Density
9.5083
g/cm³
Volume
91.78
ų
Cell a
5.1519
Å
Cell b
5.0393
Å
Cell c
5.0393
Å
α Angle
60.48
°
β Angle
59.26
°
γ Angle
59.26
°
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 |
|---|---|---|---|
| 21.39 | 4.1533 | 9.4 | (1,1,1) |
| 21.60 | 4.1133 | 11.0 | (0,1,0) |
| 24.62 | 3.6159 | 4.0 | (1,1,0) |
| 25.38 | 3.5096 | 2.7 | (0,1,1) |
| 34.83 | 2.5760 | 29.2 | (2,1,1) |
| 35.37 | 2.5381 | 23.4 | (0,1,-1) |
| 35.65 | 2.5184 | 100.0 | (1,2,1) |
| 41.36 | 2.1832 | 22.3 | (2,1,2) |
| 41.36 | 2.1832 | 67.0 | (2,1,0) |
| 41.71 | 2.1657 | 25.2 | (1,0,2) |
| 41.71 | 2.1657 | 75.5 | (1,1,-1) |
| 42.43 | 2.1303 | 41.6 | (1,2,2) |
| 42.55 | 2.1249 | 23.3 | (0,1,2) |
| 42.55 | 2.1249 | 23.3 | (0,2,1) |
| 43.58 | 2.0766 | 31.9 | (2,2,2) |
| 44.03 | 2.0566 | 12.0 | (0,0,2) |
| 44.03 | 2.0566 | 12.0 | (0,2,0) |
| 55.90 | 1.6449 | 1.0 | (0,2,-1) |
| 56.11 | 1.6392 | 2.7 | (2,3,2) |
| 62.98 | 1.4759 | 4.7 | (3,2,3) |
| 62.98 | 1.4759 | 14.0 | (3,1,0) |
| 63.67 | 1.4615 | 9.0 | (1,0,3) |
| 63.67 | 1.4615 | 9.0 | (1,-2,1) |
| 64.22 | 1.4503 | 7.9 | (2,3,3) |
Energy Properties
Formation Energy/atom
-0.37704
eV/atom
Energy/atom
-16.17220
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.1722
eV/atom
Volume/atom
15.30
ų
c/a Ratio
0.9781
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
4.1980
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.778%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2273
smaller = more stable mixing
VEC
11.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.147
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-3252330
Reference Citation
The crystal structure and related material properties of HoZn2CdNi2 were obtained from the Materials Project database (MP-ID: mp-3252330, 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_HoZn2CdNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15190762
_cell_length_b 5.03930825
_cell_length_c 5.03930878
_cell_angle_alpha 60.48396555
_cell_angle_beta 59.25806667
_cell_angle_gamma 59.25806648
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoZn2CdNi2
_chemical_formula_sum 'Ho1 Zn2 Cd1 Ni2'
_cell_volume 91.78225984
_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 0.24250904 0.25749096 0.25749096 1.0
Zn Zn1 1 0.62792055 0.62266726 0.12149265 1.0
Zn Zn2 1 0.62792055 0.12149265 0.62266726 1.0
Cd Cd3 1 0.00092716 0.99907284 0.99907284 1.0
Ni Ni4 1 0.12376406 0.62463865 0.62463865 1.0
Ni Ni5 1 0.62695864 0.62463865 0.62463865 1.0
