Dy20Ir7Rh5
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3292835 · Space group: C2 (#5)
Basic Information
Formula
Dy20Ir7Rh5
MP-ID
mp-3292835
Elements
3
Sites
32
Density
11.4000
g/cm³
Volume
744.34
ų
Cell a
10.8094
Å
Cell b
10.8094
Å
Cell c
6.3704
Å
α Angle
90.03
°
β Angle
90.03
°
γ Angle
89.89
°
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 |
|---|---|---|---|
| 8.18 | 10.8094 | 3.6 | (1,0,0) |
| 11.59 | 7.6358 | 4.3 | (1,-1,0) |
| 23.08 | 3.8543 | 21.3 | (2,1,-1) |
| 23.09 | 3.8513 | 20.5 | (2,1,1) |
| 23.11 | 3.8495 | 18.6 | (2,-1,-1) |
| 23.11 | 3.8485 | 17.7 | (2,-1,1) |
| 23.25 | 3.8255 | 1.2 | (2,2,0) |
| 23.30 | 3.8179 | 3.6 | (2,-2,0) |
| 26.05 | 3.4202 | 1.9 | (3,1,0) |
| 26.08 | 3.4162 | 2.5 | (3,-1,0) |
| 28.01 | 3.1852 | 3.5 | (0,0,2) |
| 29.22 | 3.0558 | 33.4 | (1,0,-2) |
| 29.23 | 3.0548 | 26.1 | (1,0,2) |
| 29.64 | 3.0144 | 47.1 | (3,1,-1) |
| 29.66 | 3.0124 | 54.5 | (3,1,1) |
| 29.67 | 3.0111 | 47.9 | (3,-1,-1) |
| 29.68 | 3.0102 | 54.4 | (3,-1,1) |
| 32.62 | 2.7448 | 25.0 | (2,0,-2) |
| 32.64 | 2.7434 | 24.7 | (2,0,2) |
| 32.99 | 2.7155 | 33.3 | (3,2,-1) |
| 33.01 | 2.7138 | 37.4 | (3,2,1) |
| 33.05 | 2.7108 | 37.4 | (3,-2,-1) |
| 33.05 | 2.7104 | 37.4 | (3,-2,1) |
| 33.68 | 2.6614 | 35.8 | (2,1,-2) |
Energy Properties
Formation Energy/atom
-0.88039
eV/atom
Energy/atom
-36.09391
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.0939
eV/atom
Volume/atom
23.26
ų
c/a Ratio
0.5893
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0027
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
0.9163
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6178
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.054%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4912
smaller = more stable mixing
VEC
9.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8340
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.594
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292835
Reference Citation
The crystal structure and related material properties of Dy20Ir7Rh5 were obtained from the Materials Project database (MP-ID: mp-3292835, 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_Dy20Ir7Rh5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.80938033
_cell_length_b 10.80938033
_cell_length_c 6.37041764
_cell_angle_alpha 90.03479350
_cell_angle_beta 90.03479350
_cell_angle_gamma 89.88694547
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy20Ir7Rh5
_chemical_formula_sum 'Dy20 Ir7 Rh5'
_cell_volume 744.33509339
_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 0.29052992 0.08857620 0.38784216 1.0
Dy Dy1 1 0.29061519 0.91106825 0.88654139 1.0
Dy Dy2 1 0.70815120 0.08843238 0.88595029 1.0
Dy Dy3 1 0.70789295 0.90798302 0.38669884 1.0
Dy Dy4 1 0.58853857 0.79059243 0.88723272 1.0
Dy Dy5 1 0.58750611 0.20856690 0.38657737 1.0
Dy Dy6 1 0.41004138 0.79094137 0.38697024 1.0
Dy Dy7 1 0.41047179 0.20852545 0.88613977 1.0
Dy Dy8 1 0.20940757 0.41146143 0.61276728 1.0
Dy Dy9 1 0.20905863 0.58995862 0.11302976 1.0
Dy Dy10 1 0.79143310 0.41249389 0.11342263 1.0
Dy Dy11 1 0.79147455 0.58952821 0.61386023 1.0
Dy Dy12 1 0.91142380 0.70947008 0.11215784 1.0
Dy Dy13 1 0.91156762 0.29184880 0.61404971 1.0
Dy Dy14 1 0.08893175 0.70938481 0.61345861 1.0
Dy Dy15 1 0.09201698 0.29210705 0.11330116 1.0
Dy Dy16 1 0.99919163 0.99992112 0.49957238 1.0
Dy Dy17 1 0.00007888 0.00080837 0.00042762 1.0
Dy Dy18 1 0.49992770 0.49940691 0.99990858 1.0
Dy Dy19 1 0.50059309 0.50007230 0.50009142 1.0
Ir Ir20 1 0.84545418 0.84722786 0.75039742 1.0
Ir Ir21 1 0.15277214 0.15454582 0.74960258 1.0
Ir Ir22 1 0.15386669 0.84613331 0.25000000 1.0
Ir Ir23 1 0.65508385 0.34491615 0.75000000 1.0
Ir Ir24 1 0.65466057 0.65316734 0.24950977 1.0
Ir Ir25 1 0.34683266 0.34533943 0.25049023 1.0
Ir Ir26 1 0.34583694 0.65416306 0.75000000 1.0
Rh Rh27 1 0.84560979 0.15439021 0.25000000 1.0
Rh Rh28 1 0.50032927 0.99989603 0.13316396 1.0
Rh Rh29 1 0.50025029 0.99965075 0.63255963 1.0
Rh Rh30 1 0.00034925 0.49974971 0.86744037 1.0
Rh Rh31 1 0.00010397 0.49967073 0.36683604 1.0
