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Ho2AlNiRu

High-Entropy Materials HEA

MP-ID: mp-3247692 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
Ho2AlNiRu
MP-ID
mp-3247692
Elements
4
Sites
5
Density
9.0308
g/cm³
Volume
94.99
ų
Cell a
5.4234
Å
Cell b
5.4234
Å
Cell c
5.4234
Å
α Angle
136.06
°
β Angle
117.78
°
γ Angle
79.27
°
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
19.07 4.6539 26.4 (1,0,0)
21.27 4.1766 4.6 (1,1,-1)
24.38 3.6503 3.0 (1,0,-1)
27.13 3.2870 100.0 (1,-1,0)
31.94 2.8021 14.8 (1,-1,1)
34.73 2.5830 93.9 (2,0,-1)
34.73 2.5830 31.3 (1,1,-2)
36.02 2.4936 44.9 (2,1,-1)
38.70 2.3269 78.5 (2,0,0)
39.24 2.2960 76.1 (2,1,-2)
40.59 2.2227 36.1 (2,-1,0)
40.59 2.2227 36.1 (1,0,1)
43.33 2.0883 15.7 (2,2,-2)
44.66 2.0291 43.8 (1,-1,-1)
48.97 1.8600 4.7 (2,-1,-1)
49.97 1.8251 1.2 (2,0,-2)
51.45 1.7759 1.5 (3,0,-1)
51.45 1.7759 1.5 (2,1,0)
51.87 1.7626 1.6 (3,1,-2)
54.04 1.6969 11.2 (2,-2,1)
54.04 1.6969 11.2 (1,-1,2)
55.95 1.6435 3.2 (2,-2,0)
55.95 1.6435 3.2 (0,0,2)
57.57 1.6010 7.7 (3,2,-2)
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Energy Properties

Formation Energy/atom
-0.58374
eV/atom
Energy/atom
-22.56395
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-22.5640
eV/atom
Volume/atom
19.00
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
2.7920
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.063%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3804
smaller = more stable mixing
VEC
8.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.932
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahcuhg

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3247692
Reference Citation

The crystal structure and related material properties of Ho2AlNiRu were obtained from the Materials Project database (MP-ID: mp-3247692, 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_Ho2AlNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42340129
_cell_length_b   5.42340075
_cell_length_c   5.42340041
_cell_angle_alpha   136.05718842
_cell_angle_beta   117.78143847
_cell_angle_gamma   79.27281697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2AlNiRu
_chemical_formula_sum   'Ho2 Al1 Ni1 Ru1'
_cell_volume   94.99052273
_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  0.69460314  0.20039083  0.49421131  1.0
  Ho  Ho1  1  0.29382048  0.79960917  0.49421131  1.0
  Al  Al2  1  0.99804885  1.00000000  0.99804885  1.0
  Ni  Ni3  1  0.74435207  0.50000000  0.24435207  1.0
  Ru  Ru4  1  0.26917545  0.50000000  0.76917545  1.0
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