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YbHoB4Ir5

High-Entropy Materials HEA

MP-ID: mp-3253799 · Space group: Fmm2 (#42)

Basic Information

Formula
YbHoB4Ir5
MP-ID
mp-3253799
Elements
4
Sites
11
Density
14.7882
g/cm³
Volume
150.72
ų
Cell a
7.4623
Å
Cell b
6.3078
Å
Cell c
5.5615
Å
α Angle
77.63
°
β Angle
55.66
°
γ Angle
46.72
°
Space Group
Fmm2
Point Group
mm2
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
15.60 5.6809 4.5 (1,1,0)
18.34 4.8388 11.6 (1,0,1)
24.16 3.6837 1.8 (0,1,-1)
24.16 3.6837 1.8 (2,1,1)
30.13 2.9662 47.7 (1,1,-1)
31.50 2.8404 18.1 (2,2,0)
32.66 2.7416 1.8 (0,1,1)
36.39 2.4691 1.2 (1,2,1)
36.69 2.4496 50.9 (1,2,-1)
37.16 2.4194 51.3 (2,0,2)
37.71 2.3853 100.0 (1,1,2)
40.24 2.2413 6.5 (0,1,-2)
40.24 2.2413 19.4 (0,2,-1)
44.15 2.0515 7.2 (2,2,-1)
46.01 1.9726 29.6 (2,3,1)
48.05 1.8936 2.0 (3,3,0)
49.49 1.8418 6.2 (0,2,-2)
49.49 1.8418 6.2 (4,2,2)
49.93 1.8267 17.7 (1,1,-2)
49.93 1.8267 5.9 (3,1,0)
51.85 1.7634 3.0 (2,3,-1)
51.97 1.7595 1.3 (1,2,-2)
51.97 1.7595 2.6 (1,3,-1)
51.97 1.7595 1.3 (4,2,1)
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Energy Properties

Formation Energy/atom
-0.82748
eV/atom
Energy/atom
-33.60866
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.6087
eV/atom
Volume/atom
13.70
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
0.0043
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ir · 0.455
Element Family
5d-TM
Solute Fraction
0.545
Interstitial Fraction
0.364

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1622
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6627
J/mol·K
Ω Parameter
2.1704
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
24.432%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3797
smaller = more stable mixing
VEC
7.455
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.492
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8384
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253799
Reference Citation

The crystal structure and related material properties of YbHoB4Ir5 were obtained from the Materials Project database (MP-ID: mp-3253799, 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_YbHoB4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46231895
_cell_length_b   6.30782189
_cell_length_c   5.56149035
_cell_angle_alpha   77.62812749
_cell_angle_beta   55.65546613
_cell_angle_gamma   46.71640988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbHoB4Ir5
_chemical_formula_sum   'Yb1 Ho1 B4 Ir5'
_cell_volume   150.72439203
_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
  Yb  Yb0  1  0.35780311  0.35780411  0.64219689  1.0
  Ho  Ho1  1  0.63395666  0.63395766  0.36604334  1.0
  B  B2  1  0.29116361  0.97503659  0.02496341  1.0
  B  B3  1  0.02516496  0.71265250  0.28734750  1.0
  B  B4  1  0.97503659  0.29116361  0.70883639  1.0
  B  B5  1  0.71265250  0.02516496  0.97483504  1.0
  Ir  Ir6  1  0.00301085  0.00301085  0.99698915  1.0
  Ir  Ir7  1  0.49972121  0.49972121  0.00027879  1.0
  Ir  Ir8  1  0.25088365  0.25088365  0.24911735  1.0
  Ir  Ir9  1  0.99972121  0.99972121  0.50027879  1.0
  Ir  Ir10  1  0.75088265  0.75088365  0.74911735  1.0
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