Dy16Er4Ir11Os
High-Entropy Materials HEAMP-ID: mp-3292633 · Space group: P4 (#75)
Basic Information
Formula
Dy16Er4Ir11Os
MP-ID
mp-3292633
Elements
4
Sites
32
Density
12.4978
g/cm³
Volume
740.55
ų
Cell a
10.7881
Å
Cell b
10.7881
Å
Cell c
6.3630
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 |
|---|---|---|---|
| 11.60 | 7.6284 | 2.5 | (1,1,0) |
| 16.43 | 5.3941 | 7.5 | (2,0,0) |
| 23.14 | 3.8445 | 37.7 | (2,1,1) |
| 23.32 | 3.8142 | 7.1 | (2,2,0) |
| 28.05 | 3.1815 | 2.6 | (0,0,2) |
| 29.27 | 3.0516 | 11.2 | (1,0,2) |
| 29.71 | 3.0066 | 77.9 | (3,1,1) |
| 32.68 | 2.7404 | 21.6 | (2,0,2) |
| 33.08 | 2.7077 | 67.4 | (3,2,1) |
| 33.75 | 2.6560 | 82.5 | (2,1,2) |
| 35.30 | 2.5428 | 10.5 | (3,3,0) |
| 36.79 | 2.4432 | 1.7 | (2,2,2) |
| 37.15 | 2.4199 | 89.7 | (4,1,1) |
| 37.27 | 2.4123 | 100.0 | (4,2,0) |
| 37.75 | 2.3828 | 39.2 | (3,0,2) |
| 38.70 | 2.3267 | 63.2 | (3,1,2) |
| 39.97 | 2.2556 | 27.5 | (4,2,1) |
| 41.43 | 2.1796 | 23.1 | (3,2,2) |
| 42.74 | 2.1157 | 5.7 | (5,1,0) |
| 44.01 | 2.0573 | 26.8 | (4,0,2) |
| 44.33 | 2.0434 | 4.3 | (4,3,1) |
| 44.85 | 2.0209 | 2.6 | (4,1,2) |
| 45.67 | 1.9863 | 3.9 | (3,3,2) |
| 46.79 | 1.9417 | 44.8 | (2,1,3) |
Energy Properties
Formation Energy/atom
-0.89023
eV/atom
Energy/atom
-40.77612
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.7761
eV/atom
Volume/atom
23.14
ų
c/a Ratio
0.5898
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0004
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 · 0.500
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
1.0819
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.9947
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.801%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4725
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
0.7804
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292633
Reference Citation
The crystal structure and related material properties of Dy16Er4Ir11Os were obtained from the Materials Project database (MP-ID: mp-3292633, 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_Dy16Er4Ir11Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.78813117
_cell_length_b 10.78813117
_cell_length_c 6.36301652
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy16Er4Ir11Os
_chemical_formula_sum 'Dy16 Er4 Ir11 Os1'
_cell_volume 740.55187676
_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 0.29209179 0.08661940 0.38153917 1.0
Dy Dy1 1 0.29302685 0.91290125 0.88570557 1.0
Dy Dy2 1 0.70697315 0.08709875 0.88570557 1.0
Dy Dy3 1 0.70790821 0.91338060 0.38153917 1.0
Dy Dy4 1 0.58709875 0.79302685 0.88570557 1.0
Dy Dy5 1 0.58661940 0.20790821 0.38153917 1.0
Dy Dy6 1 0.41338060 0.79209179 0.38153917 1.0
Dy Dy7 1 0.41290125 0.20697315 0.88570557 1.0
Dy Dy8 1 0.20910307 0.41158916 0.61711434 1.0
Dy Dy9 1 0.20913186 0.58722683 0.11649130 1.0
Dy Dy10 1 0.79086814 0.41277317 0.11649130 1.0
Dy Dy11 1 0.79089693 0.58841084 0.61711434 1.0
Dy Dy12 1 0.91277317 0.70913186 0.11649130 1.0
Dy Dy13 1 0.91158916 0.29089693 0.61711434 1.0
Dy Dy14 1 0.08841084 0.70910307 0.61711434 1.0
Dy Dy15 1 0.08722683 0.29086814 0.11649130 1.0
Er Er16 1 0.00000000 0.00000000 0.49810541 1.0
Er Er17 1 0.00000000 0.00000000 0.99795729 1.0
Er Er18 1 0.50000000 0.50000000 0.99795729 1.0
Er Er19 1 0.50000000 0.50000000 0.49810541 1.0
Ir Ir20 1 0.84920247 0.15326041 0.24938262 1.0
Ir Ir21 1 0.84866333 0.84778897 0.74931149 1.0
Ir Ir22 1 0.15133667 0.15221103 0.74931149 1.0
Ir Ir23 1 0.15079753 0.84673959 0.24938262 1.0
Ir Ir24 1 0.65221103 0.34866333 0.74931149 1.0
Ir Ir25 1 0.65326041 0.65079753 0.24938262 1.0
Ir Ir26 1 0.34673959 0.34920247 0.24938262 1.0
Ir Ir27 1 0.34778897 0.65133667 0.74931149 1.0
Ir Ir28 1 0.50000000 0.00000000 0.62967116 1.0
Ir Ir29 1 0.00000000 0.50000000 0.87274197 1.0
Ir Ir30 1 0.00000000 0.50000000 0.37400154 1.0
Os Os31 1 0.50000000 0.00000000 0.13327692 1.0
