Dy20Ir8OsRh3
High-Entropy Materials HEAMP-ID: mp-3293389 · Space group: P4 (#75)
Basic Information
Formula
Dy20Ir8OsRh3
MP-ID
mp-3293389
Elements
4
Sites
32
Density
11.7863
g/cm³
Volume
744.82
ų
Cell a
10.7923
Å
Cell b
10.7923
Å
Cell c
6.3948
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4
Point Group
4
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 8.19 | 10.7923 | 1.4 | (1,0,0) |
| 23.09 | 3.8524 | 42.2 | (2,1,1) |
| 23.31 | 3.8157 | 2.9 | (2,2,0) |
| 27.90 | 3.1974 | 2.7 | (0,0,2) |
| 29.13 | 3.0657 | 22.8 | (1,0,2) |
| 29.67 | 3.0109 | 86.8 | (3,1,1) |
| 32.55 | 2.7508 | 23.0 | (2,0,2) |
| 33.04 | 2.7110 | 68.1 | (3,2,1) |
| 33.62 | 2.6655 | 63.1 | (2,1,2) |
| 35.28 | 2.5438 | 15.9 | (3,3,0) |
| 36.67 | 2.4507 | 1.3 | (2,2,2) |
| 37.11 | 2.4224 | 100.0 | (4,1,1) |
| 37.26 | 2.4132 | 89.7 | (4,2,0) |
| 37.64 | 2.3899 | 32.6 | (3,0,2) |
| 38.59 | 2.3333 | 69.7 | (3,1,2) |
| 39.93 | 2.2578 | 30.8 | (4,2,1) |
| 41.32 | 2.1852 | 13.7 | (3,2,2) |
| 42.72 | 2.1165 | 2.6 | (5,1,0) |
| 43.91 | 2.0620 | 26.9 | (4,0,2) |
| 44.29 | 2.0451 | 4.8 | (4,3,1) |
| 45.57 | 1.9906 | 4.8 | (3,3,2) |
| 46.58 | 1.9499 | 50.2 | (2,1,3) |
| 47.19 | 1.9262 | 1.6 | (4,2,2) |
| 47.55 | 1.9124 | 30.6 | (5,2,1) |
Energy Properties
Formation Energy/atom
-0.85583
eV/atom
Energy/atom
-37.85286
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.8529
eV/atom
Volume/atom
23.28
ų
c/a Ratio
0.5925
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0057
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
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
0.9705
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0691
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.970%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4846
smaller = more stable mixing
VEC
9.594
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293389
Reference Citation
The crystal structure and related material properties of Dy20Ir8OsRh3 were obtained from the Materials Project database (MP-ID: mp-3293389, 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_Dy20Ir8OsRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.79230147
_cell_length_b 10.79230147
_cell_length_c 6.39477702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20Ir8OsRh3
_chemical_formula_sum 'Dy20 Ir8 Os1 Rh3'
_cell_volume 744.82379386
_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 0.29220296 0.08804419 0.38244255 1.0
Dy Dy1 1 0.29380462 0.91216174 0.88883423 1.0
Dy Dy2 1 0.70619538 0.08783826 0.88883423 1.0
Dy Dy3 1 0.70779704 0.91195581 0.38244255 1.0
Dy Dy4 1 0.58783826 0.79380462 0.88883423 1.0
Dy Dy5 1 0.58804419 0.20779704 0.38244255 1.0
Dy Dy6 1 0.41195581 0.79220296 0.38244255 1.0
Dy Dy7 1 0.41216174 0.20619538 0.88883423 1.0
Dy Dy8 1 0.20909533 0.40998429 0.61574151 1.0
Dy Dy9 1 0.20909567 0.58777133 0.11495083 1.0
Dy Dy10 1 0.79090433 0.41222867 0.11495083 1.0
Dy Dy11 1 0.79090467 0.59001571 0.61574151 1.0
Dy Dy12 1 0.91222867 0.70909567 0.11495083 1.0
Dy Dy13 1 0.90998429 0.29090467 0.61574151 1.0
Dy Dy14 1 0.09001571 0.70909533 0.61574151 1.0
Dy Dy15 1 0.08777133 0.29090433 0.11495083 1.0
Dy Dy16 1 0.00000000 0.00000000 0.49755663 1.0
Dy Dy17 1 0.00000000 0.00000000 0.99695463 1.0
Dy Dy18 1 0.50000000 0.50000000 0.99695463 1.0
Dy Dy19 1 0.50000000 0.50000000 0.49755663 1.0
Ir Ir20 1 0.84814839 0.15546177 0.24911852 1.0
Ir Ir21 1 0.84749762 0.84599238 0.74944630 1.0
Ir Ir22 1 0.15250238 0.15400762 0.74944630 1.0
Ir Ir23 1 0.15185161 0.84453823 0.24911852 1.0
Ir Ir24 1 0.65400762 0.34749762 0.74944630 1.0
Ir Ir25 1 0.65546177 0.65185161 0.24911852 1.0
Ir Ir26 1 0.34453823 0.34814839 0.24911852 1.0
Ir Ir27 1 0.34599238 0.65250238 0.74944630 1.0
Os Os28 1 0.50000000 0.00000000 0.13656395 1.0
Rh Rh29 1 0.50000000 0.00000000 0.63137250 1.0
Rh Rh30 1 0.00000000 0.50000000 0.86913643 1.0
Rh Rh31 1 0.00000000 0.50000000 0.37176190 1.0
