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Ho2AlRuRh

High-Entropy Materials HEA

MP-ID: mp-3253020 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
Ho2AlRuRh
MP-ID
mp-3253020
Elements
4
Sites
5
Density
9.4906
g/cm³
Volume
98.12
ų
Cell a
5.4870
Å
Cell b
5.4870
Å
Cell c
5.4870
Å
α Angle
137.28
°
β Angle
115.37
°
γ Angle
80.62
°
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
18.47 4.8038 23.1 (1,0,0)
24.68 3.6070 6.2 (0,1,0)
24.68 3.6070 6.2 (1,0,-1)
26.99 3.3034 55.4 (1,-1,0)
26.99 3.3034 55.4 (0,0,1)
30.47 2.9333 10.4 (1,-1,1)
34.60 2.5928 100.0 (2,0,-1)
34.60 2.5928 33.3 (1,1,-2)
35.64 2.5192 24.8 (2,1,-1)
35.64 2.5192 24.8 (1,2,-2)
37.44 2.4019 57.4 (2,0,0)
37.44 2.4019 57.4 (0,2,-2)
39.39 2.2876 48.9 (1,2,-1)
39.39 2.2876 48.9 (2,1,-2)
39.60 2.2758 54.6 (2,-1,0)
39.60 2.2758 54.6 (1,0,1)
43.24 2.0921 22.7 (2,2,-2)
45.38 1.9987 52.7 (1,-1,-1)
49.39 1.8453 1.9 (1,-2,0)
49.39 1.8453 1.9 (0,1,1)
51.72 1.7675 1.1 (2,2,-1)
51.72 1.7675 1.1 (1,3,-2)
52.06 1.7566 12.7 (2,-2,1)
52.06 1.7566 12.7 (1,-1,2)
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Energy Properties

Formation Energy/atom
-0.78750
eV/atom
Energy/atom
-25.19861
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.1986
eV/atom
Volume/atom
19.62
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
5.8872
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.420%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4551
smaller = more stable mixing
VEC
8.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.479
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahdcee

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253020
Reference Citation

The crystal structure and related material properties of Ho2AlRuRh were obtained from the Materials Project database (MP-ID: mp-3253020, 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_Ho2AlRuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48699327
_cell_length_b   5.48699264
_cell_length_c   5.48699166
_cell_angle_alpha   137.27686589
_cell_angle_beta   115.36709590
_cell_angle_gamma   80.61562067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2AlRuRh
_chemical_formula_sum   'Ho2 Al1 Ru1 Rh1'
_cell_volume   98.12409488
_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  0.69757881  0.20098833  0.49658948  1.0
  Ho  Ho1  1  0.29560214  0.79901167  0.49658948  1.0
  Al  Al2  1  0.00476481  0.00000000  0.00476481  1.0
  Ru  Ru3  1  0.26062499  0.50000000  0.76062499  1.0
  Rh  Rh4  1  0.74143025  0.50000000  0.24143025  1.0
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