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Ho4Al4Ni3Rh

High-Entropy Materials HEA

MP-ID: mp-3291428 · Space group: Pm (#6)

Basic Information

Formula
Ho4Al4Ni3Rh
MP-ID
mp-3291428
Elements
4
Sites
12
Density
8.0888
g/cm³
Volume
214.86
ų
Cell a
4.2468
Å
Cell b
6.6162
Å
Cell c
7.6470
Å
α Angle
89.79
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
11.57 7.6469 1.6 (0,0,1)
13.38 6.6162 1.2 (0,1,0)
17.69 5.0124 14.3 (0,1,1)
17.76 4.9944 25.8 (0,1,-1)
23.26 3.8235 27.5 (0,0,2)
23.97 3.7127 58.7 (1,0,1)
26.89 3.3157 3.6 (0,1,2)
26.95 3.3081 14.6 (0,2,0)
26.98 3.3052 2.9 (0,1,-2)
27.53 3.2402 16.6 (1,1,1)
27.57 3.2353 17.0 (1,1,-1)
29.38 3.0402 9.3 (0,2,1)
29.46 3.0321 15.2 (0,2,-1)
34.31 2.6135 74.2 (1,1,2)
34.36 2.6098 24.9 (1,2,0)
34.38 2.6083 75.2 (1,1,-2)
35.83 2.5062 13.8 (0,2,2)
35.96 2.4972 12.3 (0,2,-2)
36.34 2.4720 100.0 (1,2,1)
36.41 2.4677 98.5 (1,2,-1)
37.78 2.3815 36.9 (0,1,3)
37.87 2.3757 29.8 (0,1,-3)
41.31 2.1855 24.6 (1,0,3)
41.85 2.1584 2.5 (1,2,2)
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Energy Properties

Formation Energy/atom
-0.72676
eV/atom
Energy/atom
-18.93802
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.9380
eV/atom
Volume/atom
17.91
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0014
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
Ho · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2861
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.6923
J/mol·K
Ω Parameter
1.6406
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.693%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3287
smaller = more stable mixing
VEC
7.917
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.825
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9277
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291428
Reference Citation

The crystal structure and related material properties of Ho4Al4Ni3Rh were obtained from the Materials Project database (MP-ID: mp-3291428, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ho4Al4Ni3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24677533
_cell_length_b   6.61622534
_cell_length_c   7.64698738
_cell_angle_alpha   89.79124269
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho4Al4Ni3Rh
_chemical_formula_sum   'Ho4 Al4 Ni3 Rh1'
_cell_volume   214.86073920
_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  0.25000000  0.53835337  0.17673310  1.0
  Ho  Ho1  1  0.75000000  0.46285924  0.82617986  1.0
  Ho  Ho2  1  0.75000000  0.95990796  0.67679088  1.0
  Ho  Ho3  1  0.25000000  0.03410893  0.32121258  1.0
  Al  Al4  1  0.25000000  0.63912213  0.55831626  1.0
  Al  Al5  1  0.75000000  0.36827680  0.43638572  1.0
  Al  Al6  1  0.75000000  0.86433996  0.05829364  1.0
  Al  Al7  1  0.25000000  0.13478200  0.94568057  1.0
  Ni  Ni8  1  0.25000000  0.77256818  0.87744697  1.0
  Ni  Ni9  1  0.75000000  0.23080423  0.12580664  1.0
  Ni  Ni10  1  0.75000000  0.73230571  0.37491228  1.0
  Rh  Rh11  1  0.25000000  0.26257148  0.62224150  1.0
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