Y20Ir7Ru4Pt
High-Entropy Materials HEAMP-ID: mp-3293217 · Space group: C2 (#5)
Basic Information
Formula
Y20Ir7Ru4Pt
MP-ID
mp-3293217
Elements
4
Sites
32
Density
8.1671
g/cm³
Volume
756.97
ų
Cell a
10.8251
Å
Cell b
10.8251
Å
Cell c
6.4598
Å
α Angle
90.04
°
β Angle
90.04
°
γ Angle
89.83
°
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 |
|---|---|---|---|
| 11.54 | 7.6660 | 2.6 | (1,1,0) |
| 11.58 | 7.6429 | 2.7 | (1,-1,0) |
| 22.93 | 3.8788 | 92.9 | (2,1,-1) |
| 22.95 | 3.8751 | 90.6 | (2,1,1) |
| 22.97 | 3.8716 | 91.9 | (2,-1,-1) |
| 22.98 | 3.8703 | 91.1 | (2,-1,1) |
| 23.21 | 3.8330 | 8.3 | (2,2,0) |
| 23.28 | 3.8215 | 8.6 | (2,-2,0) |
| 26.01 | 3.4263 | 15.3 | (3,1,0) |
| 26.05 | 3.4201 | 14.4 | (3,-1,0) |
| 27.62 | 3.2299 | 41.0 | (0,0,2) |
| 28.84 | 3.0957 | 10.5 | (1,0,-2) |
| 28.85 | 3.0944 | 12.3 | (1,0,2) |
| 29.50 | 3.0281 | 35.2 | (3,1,-1) |
| 29.52 | 3.0257 | 29.3 | (3,1,1) |
| 29.55 | 3.0232 | 34.6 | (3,-1,-1) |
| 29.56 | 3.0220 | 31.0 | (3,-1,1) |
| 32.26 | 2.7745 | 33.0 | (2,0,-2) |
| 32.29 | 2.7727 | 33.1 | (2,0,2) |
| 32.84 | 2.7268 | 39.7 | (3,2,-1) |
| 32.87 | 2.7247 | 46.1 | (3,2,1) |
| 32.93 | 2.7197 | 40.4 | (3,-2,-1) |
| 32.94 | 2.7193 | 40.6 | (3,-2,1) |
| 33.10 | 2.7063 | 11.1 | (4,0,0) |
Energy Properties
Formation Energy/atom
-0.72768
eV/atom
Energy/atom
-29.66435
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.6644
eV/atom
Volume/atom
23.66
ų
c/a Ratio
0.5967
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0365
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.625
Element Family
4d-TM
Solute Fraction
0.375
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9944
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2678
J/mol·K
Ω Parameter
0.3357
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.175%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4779
smaller = more stable mixing
VEC
5.156
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-52.051
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7173
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293217
Reference Citation
The crystal structure and related material properties of Y20Ir7Ru4Pt were obtained from the Materials Project database (MP-ID: mp-3293217, 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_Y20Ir7Ru4Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.82505250
_cell_length_b 10.82505250
_cell_length_c 6.45978604
_cell_angle_alpha 90.04323627
_cell_angle_beta 90.04323627
_cell_angle_gamma 89.82711664
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y20Ir7Ru4Pt
_chemical_formula_sum 'Y20 Ir7 Ru4 Pt1'
_cell_volume 756.96523125
_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
Y Y0 1 0.29230109 0.08616676 0.38343812 1.0
Y Y1 1 0.29398711 0.91243161 0.88298982 1.0
Y Y2 1 0.70350524 0.08500110 0.87890236 1.0
Y Y3 1 0.70409502 0.90955891 0.38473297 1.0
Y Y4 1 0.58648759 0.79268738 0.88436104 1.0
Y Y5 1 0.58297778 0.20582516 0.38258188 1.0
Y Y6 1 0.41202525 0.79294267 0.38383335 1.0
Y Y7 1 0.41193633 0.20579255 0.88311960 1.0
Y Y8 1 0.20731262 0.41351241 0.61563896 1.0
Y Y9 1 0.20705733 0.58797475 0.11616665 1.0
Y Y10 1 0.79417484 0.41702222 0.11741812 1.0
Y Y11 1 0.79420745 0.58806367 0.61688040 1.0
Y Y12 1 0.91383324 0.70769891 0.11656188 1.0
Y Y13 1 0.91499890 0.29649476 0.62109764 1.0
Y Y14 1 0.08756839 0.70601289 0.61701018 1.0
Y Y15 1 0.09044109 0.29590498 0.11526703 1.0
Y Y16 1 0.00027942 0.99821892 0.50121003 1.0
Y Y17 1 0.00178108 0.99972058 0.99878997 1.0
Y Y18 1 0.50013309 0.49900927 0.99953790 1.0
Y Y19 1 0.50099073 0.49986691 0.50046210 1.0
Ir Ir20 1 0.84743888 0.84940306 0.75090225 1.0
Ir Ir21 1 0.15059694 0.15256112 0.74909775 1.0
Ir Ir22 1 0.15219183 0.84780817 0.25000000 1.0
Ir Ir23 1 0.65384348 0.34615652 0.75000000 1.0
Ir Ir24 1 0.65263485 0.65168615 0.24984400 1.0
Ir Ir25 1 0.34831385 0.34736515 0.25015600 1.0
Ir Ir26 1 0.34787646 0.65212354 0.75000000 1.0
Ru Ru27 1 0.49933239 0.99921967 0.13331370 1.0
Ru Ru28 1 0.49954757 0.99921077 0.63239321 1.0
Ru Ru29 1 0.00078923 0.50045243 0.86760679 1.0
Ru Ru30 1 0.00078033 0.50066761 0.36668630 1.0
Pt Pt31 1 0.84656061 0.15343939 0.25000000 1.0
