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Ho2B4Ir2Ru3

High-Entropy Materials HEA

MP-ID: mp-3253719 · Space group: F222 (#22)

Basic Information

Formula
Ho2B4Ir2Ru3
MP-ID
mp-3253719
Elements
4
Sites
11
Density
11.7373
g/cm³
Volume
150.07
ų
Cell a
7.4700
Å
Cell b
6.3861
Å
Cell c
5.4810
Å
α Angle
77.61
°
β Angle
56.61
°
γ Angle
45.78
°
Space Group
F222
Point Group
222
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.36 5.7681 1.8 (1,1,0)
20.23 4.3898 2.8 (1,0,0)
20.23 4.3898 8.3 (0,1,0)
24.28 3.6652 25.4 (2,1,1)
29.90 2.9880 33.3 (2,1,0)
29.90 2.9880 100.0 (1,1,-1)
31.01 2.8841 17.2 (2,2,0)
33.61 2.6663 2.1 (2,0,1)
33.61 2.6663 2.1 (2,1,2)
36.29 2.4754 4.5 (1,0,-1)
36.29 2.4754 4.5 (1,2,1)
36.45 2.4647 67.4 (3,2,1)
37.91 2.3734 83.0 (1,-1,0)
37.91 2.3734 83.0 (1,1,2)
37.91 2.3733 82.3 (2,0,2)
40.42 2.2317 34.8 (3,1,1)
40.42 2.2317 34.8 (3,2,2)
43.62 2.0751 16.4 (3,2,0)
43.62 2.0751 5.5 (3,3,1)
45.67 1.9867 20.4 (2,1,-1)
45.67 1.9867 20.4 (2,3,1)
47.28 1.9227 3.1 (3,3,0)
49.75 1.8326 5.8 (3,1,0)
49.75 1.8326 11.7 (1,3,0)
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Energy Properties

Formation Energy/atom
-0.70948
eV/atom
Energy/atom
-25.81316
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.8132
eV/atom
Volume/atom
13.64
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
0.0002
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
B · 0.364
Element Family
Metalloid-Nonmetal
Solute Fraction
0.636
Interstitial Fraction
0.364

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3421
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.1583
J/mol·K
Ω Parameter
2.9497
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
24.412%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3541
smaller = more stable mixing
VEC
6.909
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-8.998
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9681
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253719
Reference Citation

The crystal structure and related material properties of Ho2B4Ir2Ru3 were obtained from the Materials Project database (MP-ID: mp-3253719, 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_Ho2B4Ir2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46998762
_cell_length_b   6.38607845
_cell_length_c   5.48096451
_cell_angle_alpha   77.60838649
_cell_angle_beta   56.61399384
_cell_angle_gamma   45.77763278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2B4Ir2Ru3
_chemical_formula_sum   'Ho2 B4 Ir2 Ru3'
_cell_volume   150.07003924
_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  0.63815583  0.63815683  0.36184417  1.0
  Ho  Ho1  1  0.36184317  0.36184417  0.63815683  1.0
  B  B2  1  0.28979231  0.97329539  0.03548815  1.0
  B  B3  1  0.03548715  0.70142515  0.28979331  1.0
  B  B4  1  0.97329439  0.28979331  0.70142515  1.0
  B  B5  1  0.70142415  0.03548815  0.97329439  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.75000100  0.74999900  0.75000000  1.0
  Ru  Ru8  1  0.50002996  0.50002796  0.99997104  1.0
  Ru  Ru9  1  0.25000100  0.24999900  0.25000000  1.0
  Ru  Ru10  1  0.99997104  0.99997104  0.50002896  1.0
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