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Ho16Zr4Ir7Rh5

High-Entropy Materials HEA

MP-ID: mp-3292141 · Space group: C2 (#5)

Basic Information

Formula
Ho16Zr4Ir7Rh5
MP-ID
mp-3292141
Elements
4
Sites
32
Density
11.3049
g/cm³
Volume
714.43
ų
Cell a
10.7372
Å
Cell b
10.7372
Å
Cell c
6.1969
Å
α Angle
90.04
°
β Angle
90.04
°
γ Angle
89.99
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
8.23 10.7372 4.6 (1,0,0)
11.65 7.5933 2.4 (1,1,0)
11.66 7.5914 1.1 (1,-1,0)
16.51 5.3690 1.2 (1,0,-1)
16.51 5.3686 3.4 (2,0,0)
16.52 5.3654 1.1 (1,0,1)
23.42 3.7978 21.6 (2,1,-1)
23.43 3.7967 1.4 (2,2,0)
23.43 3.7961 19.2 (2,-1,-1)
23.44 3.7948 18.4 (2,-1,1)
23.45 3.7940 20.8 (2,1,1)
28.81 3.0985 22.0 (0,0,2)
29.99 2.9791 54.6 (3,1,-1)
30.00 2.9782 57.8 (3,-1,-1)
30.01 2.9776 43.9 (1,0,-2)
30.02 2.9769 64.4 (3,-1,1)
30.02 2.9767 67.1 (3,1,1)
30.02 2.9764 34.0 (1,0,2)
31.18 2.8687 1.9 (1,-1,2)
33.37 2.6855 69.5 (3,2,-1)
33.38 2.6845 17.4 (2,0,-2)
33.38 2.6843 7.2 (4,0,0)
33.38 2.6841 72.7 (3,-2,-1)
33.39 2.6836 72.7 (3,-2,1)
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Energy Properties

Formation Energy/atom
-0.89825
eV/atom
Energy/atom
-35.40754
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.4075
eV/atom
Volume/atom
22.33
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
0.0041
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 · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
J/mol·K
Ω Parameter
1.9692
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.671%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4777
smaller = more stable mixing
VEC
9.375
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.801
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3292141
Reference Citation

The crystal structure and related material properties of Ho16Zr4Ir7Rh5 were obtained from the Materials Project database (MP-ID: mp-3292141, 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_Ho16Zr4Ir7Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.73721724
_cell_length_b   10.73721724
_cell_length_c   6.19691647
_cell_angle_alpha   90.04413950
_cell_angle_beta   90.04413950
_cell_angle_gamma   89.98537828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho16Zr4Ir7Rh5
_chemical_formula_sum   'Ho16 Zr4 Ir7 Rh5'
_cell_volume   714.42862948
_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  0.28895219  0.08777291  0.37605840  1.0
  Ho  Ho1  1  0.28921593  0.91192392  0.87504589  1.0
  Ho  Ho2  1  0.71043426  0.08801857  0.87516097  1.0
  Ho  Ho3  1  0.71054131  0.91038388  0.37584967  1.0
  Ho  Ho4  1  0.58792881  0.78908544  0.87565060  1.0
  Ho  Ho5  1  0.58633087  0.21146910  0.37574980  1.0
  Ho  Ho6  1  0.41175032  0.78922781  0.37583061  1.0
  Ho  Ho7  1  0.41171747  0.21067546  0.87585927  1.0
  Ho  Ho8  1  0.21091456  0.41207119  0.62434940  1.0
  Ho  Ho9  1  0.21077219  0.58824968  0.12416939  1.0
  Ho  Ho10  1  0.78853090  0.41366913  0.12425020  1.0
  Ho  Ho11  1  0.78932454  0.58828253  0.62414073  1.0
  Ho  Ho12  1  0.91222709  0.71104781  0.12394160  1.0
  Ho  Ho13  1  0.91198143  0.28956574  0.62483903  1.0
  Ho  Ho14  1  0.08807608  0.71078407  0.62495411  1.0
  Ho  Ho15  1  0.08961612  0.28945869  0.12415033  1.0
  Zr  Zr16  1  0.00021113  0.99967636  0.49992083  1.0
  Zr  Zr17  1  0.00032364  0.99978887  0.00007917  1.0
  Zr  Zr18  1  0.49980750  0.49983809  0.99980477  1.0
  Zr  Zr19  1  0.50016191  0.50019250  0.50019523  1.0
  Ir  Ir20  1  0.85410855  0.85490613  0.74978201  1.0
  Ir  Ir21  1  0.14509387  0.14589145  0.75021799  1.0
  Ir  Ir22  1  0.14622312  0.85377688  0.25000000  1.0
  Ir  Ir23  1  0.64664808  0.35335192  0.75000000  1.0
  Ir  Ir24  1  0.64618572  0.64606063  0.24984773  1.0
  Ir  Ir25  1  0.35393937  0.35381428  0.25015227  1.0
  Ir  Ir26  1  0.35402444  0.64597556  0.75000000  1.0
  Rh  Rh27  1  0.85383046  0.14616954  0.25000000  1.0
  Rh  Rh28  1  0.50099431  0.00024122  0.12203216  1.0
  Rh  Rh29  1  0.50064050  0.00026446  0.62119051  1.0
  Rh  Rh30  1  0.99973554  0.49935950  0.87880949  1.0
  Rh  Rh31  1  0.99975878  0.49900569  0.37796784  1.0
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