Dy20Ir5Ru4Rh3
High-Entropy Materials HEAMP-ID: mp-3292738 · Space group: C2 (#5)
Basic Information
Formula
Dy20Ir5Ru4Rh3
MP-ID
mp-3292738
Elements
4
Sites
32
Density
11.0228
g/cm³
Volume
741.79
ų
Cell a
10.7514
Å
Cell b
10.7514
Å
Cell c
6.4173
Å
α Angle
90.01
°
β Angle
90.01
°
γ Angle
90.11
°
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 |
|---|---|---|---|
| 8.22 | 10.7514 | 14.5 | (1,0,0) |
| 11.65 | 7.5950 | 1.4 | (1,1,0) |
| 16.08 | 5.5107 | 1.0 | (1,0,-1) |
| 16.09 | 5.5100 | 1.0 | (1,0,1) |
| 16.49 | 5.3757 | 3.7 | (2,0,0) |
| 18.08 | 4.9058 | 5.2 | (1,-1,1) |
| 18.10 | 4.9023 | 1.2 | (1,1,-1) |
| 18.10 | 4.9014 | 1.2 | (1,1,1) |
| 18.47 | 4.8044 | 2.1 | (2,1,0) |
| 23.10 | 3.8499 | 15.8 | (2,-1,-1) |
| 23.10 | 3.8497 | 15.3 | (2,-1,1) |
| 23.12 | 3.8463 | 13.8 | (2,1,-1) |
| 23.13 | 3.8457 | 13.4 | (2,1,1) |
| 23.43 | 3.7975 | 2.2 | (2,2,0) |
| 24.84 | 3.5838 | 2.8 | (3,0,0) |
| 26.20 | 3.4019 | 5.4 | (3,-1,0) |
| 26.23 | 3.3979 | 6.7 | (3,1,0) |
| 27.25 | 3.2729 | 1.8 | (2,-2,1) |
| 27.80 | 3.2086 | 3.1 | (0,0,2) |
| 29.04 | 3.0748 | 43.2 | (1,0,-2) |
| 29.04 | 3.0745 | 34.5 | (1,0,2) |
| 29.72 | 3.0058 | 50.0 | (3,-1,-1) |
| 29.72 | 3.0056 | 56.7 | (3,-1,1) |
| 29.75 | 3.0031 | 49.4 | (3,1,-1) |
Energy Properties
Formation Energy/atom
-0.74260
eV/atom
Energy/atom
-34.35321
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-34.3532
eV/atom
Volume/atom
23.18
ų
c/a Ratio
0.5969
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0030
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
Dy · 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
1.0656
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8598
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.164%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4846
smaller = more stable mixing
VEC
9.500
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7687
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292738
Reference Citation
The crystal structure and related material properties of Dy20Ir5Ru4Rh3 were obtained from the Materials Project database (MP-ID: mp-3292738, 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_Dy20Ir5Ru4Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.75140029
_cell_length_b 10.75140029
_cell_length_c 6.41728703
_cell_angle_alpha 90.00726121
_cell_angle_beta 90.00726121
_cell_angle_gamma 90.11104412
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20Ir5Ru4Rh3
_chemical_formula_sum 'Dy20 Ir5 Ru4 Rh3'
_cell_volume 741.78954037
_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
Dy Dy0 1 0.29369998 0.08561005 0.38316936 1.0
Dy Dy1 1 0.29382568 0.91152028 0.88405134 1.0
Dy Dy2 1 0.70509648 0.08794574 0.88313760 1.0
Dy Dy3 1 0.70491418 0.91174194 0.38195621 1.0
Dy Dy4 1 0.58565818 0.79324013 0.88435177 1.0
Dy Dy5 1 0.58551570 0.20628241 0.38309726 1.0
Dy Dy6 1 0.41267274 0.79319982 0.38355163 1.0
Dy Dy7 1 0.41354857 0.20609523 0.88251315 1.0
Dy Dy8 1 0.20675987 0.41434182 0.61564823 1.0
Dy Dy9 1 0.20680018 0.58732726 0.11644837 1.0
Dy Dy10 1 0.79371759 0.41448430 0.11690274 1.0
Dy Dy11 1 0.79390477 0.58645143 0.61748685 1.0
Dy Dy12 1 0.91438995 0.70630002 0.11683064 1.0
Dy Dy13 1 0.91205426 0.29490352 0.61686240 1.0
Dy Dy14 1 0.08847972 0.70617432 0.61594866 1.0
Dy Dy15 1 0.08825806 0.29508582 0.11804379 1.0
Dy Dy16 1 0.99932738 0.00013128 0.50026494 1.0
Dy Dy17 1 0.99986872 0.00067262 0.99973506 1.0
Dy Dy18 1 0.50023941 0.49932813 0.00011936 1.0
Dy Dy19 1 0.50067187 0.49976059 0.49988064 1.0
Ir Ir20 1 0.15125800 0.84874200 0.25000000 1.0
Ir Ir21 1 0.65295591 0.34704409 0.75000000 1.0
Ir Ir22 1 0.65360066 0.65206368 0.24967806 1.0
Ir Ir23 1 0.34793632 0.34639934 0.25032194 1.0
Ir Ir24 1 0.34801989 0.65198011 0.75000000 1.0
Ru Ru25 1 0.50030510 0.00016943 0.13133467 1.0
Ru Ru26 1 0.50055512 0.99992383 0.63172634 1.0
Ru Ru27 1 0.00007617 0.49944488 0.86827366 1.0
Ru Ru28 1 0.99983057 0.49969490 0.36866533 1.0
Rh Rh29 1 0.84868339 0.15131661 0.25000000 1.0
Rh Rh30 1 0.84702022 0.84964564 0.75057180 1.0
Rh Rh31 1 0.15035436 0.15297978 0.74942820 1.0
