Dy16Tm4Ir7Ru5
High-Entropy Materials HEAMP-ID: mp-3292363 · Space group: C2 (#5)
Basic Information
Formula
Dy16Tm4Ir7Ru5
MP-ID
mp-3292363
Elements
4
Sites
32
Density
11.6044
g/cm³
Volume
733.59
ų
Cell a
10.7089
Å
Cell b
10.7089
Å
Cell c
6.3969
Å
α Angle
89.98
°
β Angle
89.98
°
γ Angle
90.04
°
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 |
|---|---|---|---|
| 8.26 | 10.7089 | 3.4 | (1,0,0) |
| 11.68 | 7.5749 | 6.2 | (1,-1,0) |
| 11.69 | 7.5697 | 1.2 | (1,1,0) |
| 16.56 | 5.3544 | 3.0 | (2,0,0) |
| 23.20 | 3.8347 | 19.1 | (2,-1,1) |
| 23.20 | 3.8342 | 19.1 | (2,-1,-1) |
| 23.20 | 3.8338 | 22.0 | (2,1,1) |
| 23.21 | 3.8324 | 21.7 | (2,1,-1) |
| 23.49 | 3.7875 | 2.4 | (2,-2,0) |
| 26.31 | 3.3871 | 3.8 | (3,-1,0) |
| 26.32 | 3.3857 | 3.1 | (3,1,0) |
| 27.89 | 3.1985 | 5.7 | (0,0,2) |
| 29.14 | 3.0649 | 30.1 | (1,0,2) |
| 29.14 | 3.0644 | 39.6 | (1,0,-2) |
| 29.85 | 2.9936 | 54.5 | (3,-1,1) |
| 29.85 | 2.9932 | 44.5 | (3,-1,-1) |
| 29.85 | 2.9929 | 57.2 | (3,1,1) |
| 29.86 | 2.9920 | 42.6 | (3,1,-1) |
| 32.61 | 2.7462 | 27.6 | (2,0,2) |
| 32.62 | 2.7455 | 27.8 | (2,0,-2) |
| 33.25 | 2.6947 | 46.2 | (3,-2,1) |
| 33.25 | 2.6945 | 46.6 | (3,-2,-1) |
| 33.26 | 2.6936 | 41.4 | (3,2,1) |
| 33.27 | 2.6928 | 43.8 | (3,2,-1) |
Energy Properties
Formation Energy/atom
-0.74381
eV/atom
Energy/atom
-36.55103
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.5510
eV/atom
Volume/atom
22.92
ų
c/a Ratio
0.5974
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0054
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 · 0.500
Element Family
Lanthanide
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2290
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.2180
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
0.4716
smaller = more stable mixing
VEC
9.844
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8865
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292363
Reference Citation
The crystal structure and related material properties of Dy16Tm4Ir7Ru5 were obtained from the Materials Project database (MP-ID: mp-3292363, 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_Dy16Tm4Ir7Ru5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.70886480
_cell_length_b 10.70886480
_cell_length_c 6.39689408
_cell_angle_alpha 89.98271871
_cell_angle_beta 89.98271871
_cell_angle_gamma 90.03941237
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy16Tm4Ir7Ru5
_chemical_formula_sum 'Dy16 Tm4 Ir7 Ru5'
_cell_volume 733.59419831
_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 0.29331506 0.08666609 0.38258830 1.0
Dy Dy1 1 0.29254921 0.91374503 0.88276607 1.0
Dy Dy2 1 0.70844348 0.08699957 0.88202513 1.0
Dy Dy3 1 0.70805556 0.91418427 0.38129744 1.0
Dy Dy4 1 0.58666014 0.79314610 0.88192443 1.0
Dy Dy5 1 0.58761605 0.20762859 0.38275224 1.0
Dy Dy6 1 0.41379116 0.79361213 0.38236896 1.0
Dy Dy7 1 0.41382548 0.20697971 0.88273444 1.0
Dy Dy8 1 0.20685390 0.41333986 0.61807557 1.0
Dy Dy9 1 0.20638787 0.58620884 0.11763104 1.0
Dy Dy10 1 0.79237141 0.41238395 0.11724776 1.0
Dy Dy11 1 0.79302029 0.58617452 0.61726556 1.0
Dy Dy12 1 0.91333391 0.70668494 0.11741170 1.0
Dy Dy13 1 0.91300043 0.29155652 0.61797487 1.0
Dy Dy14 1 0.08625497 0.70745079 0.61723393 1.0
Dy Dy15 1 0.08581573 0.29194444 0.11870256 1.0
Tm Tm16 1 0.99982847 0.00112069 0.49880254 1.0
Tm Tm17 1 0.99887931 0.00017153 0.00119746 1.0
Tm Tm18 1 0.49951627 0.50029661 0.00004006 1.0
Tm Tm19 1 0.49970339 0.50048373 0.49995994 1.0
Ir Ir20 1 0.84934078 0.84797281 0.74884632 1.0
Ir Ir21 1 0.15202719 0.15065922 0.75115368 1.0
Ir Ir22 1 0.15125926 0.84874074 0.25000000 1.0
Ir Ir23 1 0.64990511 0.35009489 0.75000000 1.0
Ir Ir24 1 0.65083820 0.65110450 0.24964716 1.0
Ir Ir25 1 0.34889550 0.34916180 0.25035284 1.0
Ir Ir26 1 0.34885809 0.65114191 0.75000000 1.0
Ru Ru27 1 0.84939075 0.15060925 0.25000000 1.0
Ru Ru28 1 0.50086456 0.00045258 0.13142529 1.0
Ru Ru29 1 0.50021876 0.00036971 0.63170303 1.0
Ru Ru30 1 0.99963029 0.49978124 0.86829697 1.0
Ru Ru31 1 0.99954742 0.49913544 0.36857471 1.0
