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Ho10(IrAu)3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3297243 · Space group: Pc (#7)

Basic Information

Formula
Ho10(IrAu)3
MP-ID
mp-3297243
Elements
3
Sites
32
Density
12.0845
g/cm³
Volume
774.13
ų
Cell a
11.1134
Å
Cell b
11.0900
Å
Cell c
6.2813
Å
α Angle
90.00
°
β Angle
89.59
°
γ Angle
90.00
°
Space Group
Pc
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
7.96 11.1131 1.3 (1,0,0)
11.27 7.8500 16.0 (1,1,0)
15.95 5.5565 7.2 (2,0,0)
15.98 5.5450 7.4 (0,2,0)
22.65 3.9250 15.9 (2,2,0)
22.75 3.9087 18.3 (2,1,1)
22.80 3.8996 19.4 (1,2,1)
22.88 3.8874 19.6 (1,2,-1)
22.90 3.8843 20.2 (2,1,-1)
28.42 3.1406 16.4 (0,0,2)
29.04 3.0754 18.8 (3,1,1)
29.13 3.0655 25.3 (1,3,1)
29.19 3.0596 33.5 (1,3,-1)
29.21 3.0575 41.7 (3,1,-1)
29.50 3.0279 9.1 (1,0,2)
29.56 3.0217 13.1 (0,1,2)
29.61 3.0165 4.4 (1,0,-2)
32.29 2.7722 42.9 (3,2,1)
32.34 2.7682 46.0 (2,3,1)
32.45 2.7595 31.0 (2,3,-1)
32.45 2.7591 28.0 (3,2,-1)
32.65 2.7426 19.2 (2,0,2)
32.77 2.7327 37.7 (0,2,2)
32.86 2.7257 19.7 (2,0,-2)
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Energy Properties

Formation Energy/atom
-0.87875
eV/atom
Energy/atom
-40.73165
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.7317
eV/atom
Volume/atom
24.19
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
1.3154
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.001700
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9215
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6613
J/mol·K
Ω Parameter
4.0272
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.576%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5616
smaller = more stable mixing
VEC
10.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.516
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8388
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.593
Family
Ho-rich Multi-Component
Matrix Element
Ho · 0.625

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297243
Reference Citation

The crystal structure and related material properties of Ho10(IrAu)3 were obtained from the Materials Project database (MP-ID: mp-3297243, 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_Ho10(IrAu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11337710
_cell_length_b   11.09003698
_cell_length_c   6.28127065
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.58718718
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10(IrAu)3
_chemical_formula_sum   'Ho20 Ir6 Au6'
_cell_volume   774.13246352
_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  0.29825141  0.09081067  0.36459618  1.0
  Ho  Ho1  1  0.29825141  0.90918933  0.86459618  1.0
  Ho  Ho2  1  0.69587759  0.08416144  0.85706915  1.0
  Ho  Ho3  1  0.69587759  0.91583856  0.35706915  1.0
  Ho  Ho4  1  0.57405980  0.79147443  0.86161458  1.0
  Ho  Ho5  1  0.57405980  0.20852557  0.36161458  1.0
  Ho  Ho6  1  0.40976373  0.79316692  0.37421258  1.0
  Ho  Ho7  1  0.40976373  0.20683308  0.87421258  1.0
  Ho  Ho8  1  0.21414073  0.41829690  0.62648522  1.0
  Ho  Ho9  1  0.21414073  0.58170310  0.12648522  1.0
  Ho  Ho10  1  0.80153694  0.41451007  0.13915682  1.0
  Ho  Ho11  1  0.80153694  0.58548993  0.63915682  1.0
  Ho  Ho12  1  0.92088217  0.69966692  0.13931539  1.0
  Ho  Ho13  1  0.92088217  0.30033308  0.63931539  1.0
  Ho  Ho14  1  0.09688040  0.69881128  0.64023827  1.0
  Ho  Ho15  1  0.09688040  0.30118872  0.14023827  1.0
  Ho  Ho16  1  0.99630186  0.99756850  0.50191076  1.0
  Ho  Ho17  1  0.99630186  0.00243150  0.00191076  1.0
  Ho  Ho18  1  0.49502202  0.49705992  0.99690139  1.0
  Ho  Ho19  1  0.49502202  0.50294008  0.49690139  1.0
  Ir  Ir20  1  0.34828135  0.34621898  0.24946756  1.0
  Ir  Ir21  1  0.34828135  0.65378102  0.74946756  1.0
  Ir  Ir22  1  0.49711158  0.99953036  0.10879110  1.0
  Ir  Ir23  1  0.49711158  0.00046964  0.60879110  1.0
  Ir  Ir24  1  0.00208582  0.49985322  0.89141196  1.0
  Ir  Ir25  1  0.00208582  0.50014678  0.39141196  1.0
  Au  Au26  1  0.83901449  0.15467023  0.25418706  1.0
  Au  Au27  1  0.83901449  0.84532977  0.75418706  1.0
  Au  Au28  1  0.15312432  0.15574704  0.74933652  1.0
  Au  Au29  1  0.15312432  0.84425296  0.24933652  1.0
  Au  Au30  1  0.65766581  0.34619983  0.74530645  1.0
  Au  Au31  1  0.65766581  0.65380017  0.24530645  1.0
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