Ho20Ir5Ru5Pt2
High-Entropy Materials HEAMP-ID: mp-3292665 · Space group: C2 (#5)
Basic Information
Formula
Ho20Ir5Ru5Pt2
MP-ID
mp-3292665
Elements
4
Sites
32
Density
11.6391
g/cm³
Volume
735.49
ų
Cell a
10.7212
Å
Cell b
10.7212
Å
Cell c
6.3988
Å
α Angle
89.95
°
β Angle
89.95
°
γ Angle
89.63
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.25 | 10.7210 | 3.7 | (1,0,0) |
| 11.71 | 7.5568 | 4.1 | (1,-1,0) |
| 16.54 | 5.3605 | 1.6 | (2,0,0) |
| 23.13 | 3.8453 | 24.2 | (2,1,1) |
| 23.16 | 3.8412 | 23.9 | (2,1,-1) |
| 23.22 | 3.8314 | 19.7 | (2,-1,1) |
| 23.22 | 3.8300 | 19.7 | (2,-1,-1) |
| 23.55 | 3.7784 | 2.4 | (2,-2,0) |
| 26.24 | 3.3968 | 4.0 | (3,1,0) |
| 26.34 | 3.3838 | 4.8 | (3,-1,0) |
| 27.89 | 3.1994 | 7.7 | (0,0,2) |
| 29.12 | 3.0665 | 34.8 | (1,0,2) |
| 29.13 | 3.0651 | 44.7 | (1,0,-2) |
| 29.77 | 3.0015 | 59.2 | (3,1,1) |
| 29.79 | 2.9990 | 44.2 | (3,1,-1) |
| 29.86 | 2.9919 | 29.4 | (1,-3,-1) |
| 29.86 | 2.9919 | 29.4 | (3,-1,1) |
| 29.88 | 2.9907 | 47.5 | (3,-1,-1) |
| 32.58 | 2.7483 | 31.0 | (2,0,2) |
| 32.61 | 2.7463 | 31.2 | (2,0,-2) |
| 33.13 | 2.7043 | 44.9 | (3,2,1) |
| 33.16 | 2.7019 | 47.7 | (3,2,-1) |
| 33.30 | 2.6903 | 46.4 | (3,-2,1) |
| 33.31 | 2.6898 | 46.9 | (3,-2,-1) |
Energy Properties
Formation Energy/atom
-0.79071
eV/atom
Energy/atom
-36.71326
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.7133
eV/atom
Volume/atom
22.98
ų
c/a Ratio
0.5968
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0072
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 · 0.625
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
1.0471
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7059
J/mol·K
Ω Parameter
9.1226
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.902%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4764
smaller = more stable mixing
VEC
10.156
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.953
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7553
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292665
Reference Citation
The crystal structure and related material properties of Ho20Ir5Ru5Pt2 were obtained from the Materials Project database (MP-ID: mp-3292665, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Ho20Ir5Ru5Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.72119785
_cell_length_b 10.72119796
_cell_length_c 6.39882178
_cell_angle_alpha 89.95279979
_cell_angle_beta 89.95280331
_cell_angle_gamma 89.63421827
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho20Ir5Ru5Pt2
_chemical_formula_sum 'Ho20 Ir5 Ru5 Pt2'
_cell_volume 735.49122739
_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 0.29554444 0.08975697 0.38418470 1.0
Ho Ho1 1 0.29509481 0.91488174 0.87825850 1.0
Ho Ho2 1 0.70677374 0.08358942 0.87917729 1.0
Ho Ho3 1 0.70845330 0.91364898 0.37978631 1.0
Ho Ho4 1 0.58671316 0.79294783 0.88098573 1.0
Ho Ho5 1 0.58670409 0.20505821 0.37797229 1.0
Ho Ho6 1 0.41733690 0.79482644 0.38035237 1.0
Ho Ho7 1 0.41059063 0.20506037 0.88397058 1.0
Ho Ho8 1 0.20705217 0.41328684 0.61901427 1.0
Ho Ho9 1 0.20517356 0.58266310 0.11964763 1.0
Ho Ho10 1 0.79494179 0.41329591 0.12202771 1.0
Ho Ho11 1 0.79493963 0.58940937 0.61602942 1.0
Ho Ho12 1 0.91024303 0.70445556 0.11581530 1.0
Ho Ho13 1 0.91641058 0.29322626 0.62082271 1.0
Ho Ho14 1 0.08511826 0.70490519 0.62174150 1.0
Ho Ho15 1 0.08635102 0.29154670 0.12021369 1.0
Ho Ho16 1 0.99870911 0.00333532 0.49964687 1.0
Ho Ho17 1 0.99666468 0.00129089 0.00035313 1.0
Ho Ho18 1 0.49762373 0.50156284 0.00076546 1.0
Ho Ho19 1 0.49843716 0.50237627 0.49923454 1.0
Ir Ir20 1 0.84911017 0.84700467 0.74810255 1.0
Ir Ir21 1 0.15299533 0.15088983 0.75189745 1.0
Ir Ir22 1 0.65193405 0.65098834 0.24884654 1.0
Ir Ir23 1 0.34901166 0.34806595 0.25115346 1.0
Ir Ir24 1 0.34605747 0.65394253 0.75000000 1.0
Ru Ru25 1 0.84632495 0.15367505 0.25000000 1.0
Ru Ru26 1 0.50087684 0.00068233 0.13007487 1.0
Ru Ru27 1 0.49991057 0.00021416 0.63018045 1.0
Ru Ru28 1 0.99978584 0.50008943 0.86981955 1.0
Ru Ru29 1 0.99931767 0.49912316 0.36992513 1.0
Pt Pt30 1 0.15358142 0.84641858 0.25000000 1.0
Pt Pt31 1 0.65222025 0.34777975 0.75000000 1.0
