Ho2Al9NiRh2
High-Entropy Materials HEAMP-ID: mp-3296315 · Space group: Cmcm (#63)
Basic Information
Formula
Ho2Al9NiRh2
MP-ID
mp-3296315
Elements
4
Sites
28
Density
6.1633
g/cm³
Volume
451.12
ų
Cell a
7.4705
Å
Cell b
7.4705
Å
Cell c
9.3292
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.95
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 13.68 | 6.4729 | 2.0 | (1,0,-1,0) |
| 13.69 | 6.4680 | 35.6 | (1,-1,0,0) |
| 16.67 | 5.3182 | 20.2 | (0,1,-1,1) |
| 16.67 | 5.3182 | 20.2 | (1,0,-1,1) |
| 23.51 | 3.7844 | 16.8 | (1,0,-1,2) |
| 23.51 | 3.7834 | 3.6 | (1,-1,0,2) |
| 23.80 | 3.7381 | 1.9 | (1,1,-2,0) |
| 23.82 | 3.7353 | 4.9 | (2,-1,-1,0) |
| 25.67 | 3.4699 | 35.1 | (1,1,-2,1) |
| 25.69 | 3.4676 | 76.2 | (2,-1,-1,1) |
| 27.58 | 3.2340 | 14.2 | (2,-2,0,0) |
| 29.21 | 3.0577 | 9.3 | (0,2,-2,1) |
| 29.21 | 3.0577 | 9.3 | (2,0,-2,1) |
| 30.65 | 2.9170 | 53.4 | (1,1,-2,2) |
| 30.66 | 2.9157 | 100.0 | (2,-1,-1,2) |
| 31.93 | 2.8030 | 11.6 | (1,0,-1,3) |
| 33.71 | 2.6591 | 7.6 | (0,2,-2,2) |
| 33.71 | 2.6591 | 7.6 | (2,0,-2,2) |
| 33.72 | 2.6577 | 14.0 | (2,-2,0,2) |
| 36.73 | 2.4471 | 15.5 | (2,1,-3,0) |
| 37.63 | 2.3907 | 42.8 | (1,1,-2,3) |
| 37.64 | 2.3899 | 44.7 | (1,-2,1,3) |
| 37.64 | 2.3899 | 44.7 | (2,-1,-1,3) |
| 38.02 | 2.3670 | 2.2 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
-0.81995
eV/atom
Energy/atom
-14.14893
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.1489
eV/atom
Volume/atom
16.11
ų
c/a Ratio
1.2488
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0023
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
1.1931
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.255%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2954
smaller = more stable mixing
VEC
5.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.251
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296315
Reference Citation
The crystal structure and related material properties of Ho2Al9NiRh2 were obtained from the Materials Project database (MP-ID: mp-3296315, 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_Ho2Al9NiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47050074
_cell_length_b 7.47050212
_cell_length_c 9.32922131
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.94945247
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Al9NiRh2
_chemical_formula_sum 'Ho4 Al18 Ni2 Rh4'
_cell_volume 451.12460683
_cell_formula_units_Z 2
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 0.99383972 0.66797847 0.25000000 1.0
Ho Ho1 1 0.00616028 0.33202153 0.75000000 1.0
Ho Ho2 1 0.66797847 0.99383972 0.25000000 1.0
Ho Ho3 1 0.33202153 0.00616028 0.75000000 1.0
Al Al4 1 0.12144190 0.12144190 0.25000000 1.0
Al Al5 1 0.87855810 0.87855810 0.75000000 1.0
Al Al6 1 0.99994685 0.33110698 0.07334249 1.0
Al Al7 1 0.00005315 0.66889302 0.92665751 1.0
Al Al8 1 0.00005315 0.66889302 0.57334249 1.0
Al Al9 1 0.33110698 0.99994685 0.42665751 1.0
Al Al10 1 0.99994685 0.33110698 0.42665751 1.0
Al Al11 1 0.66889302 0.00005315 0.57334249 1.0
Al Al12 1 0.66889302 0.00005315 0.92665751 1.0
Al Al13 1 0.33110698 0.99994685 0.07334249 1.0
Al Al14 1 0.33128594 0.33128594 0.54918722 1.0
Al Al15 1 0.66871406 0.66871406 0.45081278 1.0
Al Al16 1 0.66871406 0.66871406 0.04918722 1.0
Al Al17 1 0.33128594 0.33128594 0.95081278 1.0
Al Al18 1 0.33840271 0.54606365 0.25000000 1.0
Al Al19 1 0.66159729 0.45393635 0.75000000 1.0
Al Al20 1 0.54606365 0.33840271 0.25000000 1.0
Al Al21 1 0.45393635 0.66159729 0.75000000 1.0
Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0
Ni Ni23 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh24 1 0.67229497 0.32770503 0.00000000 1.0
Rh Rh25 1 0.32770503 0.67229497 0.00000000 1.0
Rh Rh26 1 0.32770503 0.67229497 0.50000000 1.0
Rh Rh27 1 0.67229497 0.32770503 0.50000000 1.0
