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Ho2ZnNiRh

High-Entropy Materials HEA

MP-ID: mp-3246644 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
Ho2ZnNiRh
MP-ID
mp-3246644
Elements
4
Sites
5
Density
9.9124
g/cm³
Volume
93.29
ų
Cell a
5.3268
Å
Cell b
5.3268
Å
Cell c
5.3268
Å
α Angle
134.17
°
β Angle
117.02
°
γ Angle
81.31
°
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)
2θd (Å)Ihkl
19.37 4.5836 3.4 (0,1,-1)
19.37 4.5836 3.4 (1,0,0)
26.81 3.3259 54.2 (0,0,1)
32.17 2.7826 17.1 (1,-1,1)
34.94 2.5680 100.0 (0,2,-1)
34.94 2.5680 33.3 (2,0,-1)
37.08 2.4248 38.1 (1,2,-2)
39.31 2.2918 23.9 (0,2,-2)
39.31 2.2918 23.9 (2,0,0)
39.90 2.2594 41.7 (1,2,-1)
40.61 2.2218 52.9 (0,1,-2)
40.61 2.2218 17.6 (2,-1,0)
43.64 2.0741 42.7 (1,-1,-1)
44.86 2.0205 16.7 (2,2,-2)
48.16 1.8896 1.3 (1,0,-2)
54.16 1.6934 14.4 (1,-1,2)
55.24 1.6629 7.6 (0,0,2)
58.56 1.5762 15.1 (0,3,-1)
58.56 1.5762 5.0 (3,0,-2)
59.16 1.5618 8.5 (0,2,-3)
59.16 1.5618 8.5 (2,0,1)
59.56 1.5523 4.1 (2,3,-3)
59.56 1.5523 4.1 (3,2,-2)
60.17 1.5378 20.5 (1,1,-3)
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Energy Properties

Formation Energy/atom
-0.67291
eV/atom
Energy/atom
-22.83116
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.8312
eV/atom
Volume/atom
18.66
ų
c/a Ratio
1.0000

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
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
3.7746
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.841%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4042
smaller = more stable mixing
VEC
10.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.769
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcssy

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3246644
Reference Citation

The crystal structure and related material properties of Ho2ZnNiRh were obtained from the Materials Project database (MP-ID: mp-3246644, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Ho2ZnNiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32676473
_cell_length_b   5.32676593
_cell_length_c   5.32676583
_cell_angle_alpha   134.16937329
_cell_angle_beta   117.01716997
_cell_angle_gamma   81.31284225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2ZnNiRh
_chemical_formula_sum   'Ho2 Zn1 Ni1 Rh1'
_cell_volume   93.28725909
_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  0.70049393  0.20360632  0.49688761  1.0
  Ho  Ho1  1  0.29328129  0.79639368  0.49688761  1.0
  Zn  Zn2  1  0.98928898  1.00000000  0.98928898  1.0
  Ni  Ni3  1  0.74069839  0.50000000  0.24069839  1.0
  Rh  Rh4  1  0.27623641  0.50000000  0.77623641  1.0
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