Dy18Er2Ir7Au5
High-Entropy Materials HEAMP-ID: mp-3292841 · Space group: C2 (#5)
Basic Information
Formula
Dy18Er2Ir7Au5
MP-ID
mp-3292841
Elements
4
Sites
32
Density
11.9635
g/cm³
Volume
775.88
ų
Cell a
11.0850
Å
Cell b
11.0850
Å
Cell c
6.3144
Å
α Angle
89.93
°
β Angle
89.93
°
γ Angle
89.62
°
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 |
|---|---|---|---|
| 7.98 | 11.0847 | 2.9 | (1,0,0) |
| 11.25 | 7.8644 | 7.0 | (1,1,0) |
| 11.33 | 7.8120 | 4.5 | (1,-1,0) |
| 15.99 | 5.5424 | 14.0 | (2,0,0) |
| 22.61 | 3.9322 | 7.8 | (2,2,0) |
| 22.75 | 3.9087 | 19.3 | (2,1,1) |
| 22.77 | 3.9060 | 7.9 | (2,-2,0) |
| 22.79 | 3.9027 | 20.5 | (2,1,-1) |
| 22.84 | 3.8938 | 17.7 | (2,-1,1) |
| 22.85 | 3.8918 | 19.0 | (2,-1,-1) |
| 28.27 | 3.1572 | 12.1 | (0,0,2) |
| 29.07 | 3.0714 | 22.6 | (3,1,1) |
| 29.11 | 3.0675 | 36.1 | (3,1,-1) |
| 29.17 | 3.0610 | 28.0 | (3,-1,1) |
| 29.19 | 3.0591 | 34.5 | (3,-1,-1) |
| 29.41 | 3.0374 | 13.8 | (1,0,2) |
| 29.42 | 3.0355 | 9.8 | (1,0,-2) |
| 32.28 | 2.7729 | 42.4 | (3,2,1) |
| 32.33 | 2.7693 | 30.1 | (3,2,-1) |
| 32.47 | 2.7576 | 32.1 | (3,-2,1) |
| 32.48 | 2.7569 | 32.1 | (3,-2,-1) |
| 32.62 | 2.7447 | 34.0 | (2,0,2) |
| 32.66 | 2.7419 | 33.1 | (2,0,-2) |
| 33.60 | 2.6670 | 33.9 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.87919
eV/atom
Energy/atom
-40.34680
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.3468
eV/atom
Volume/atom
24.25
ų
c/a Ratio
0.5696
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.5248
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000680
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.563
Element Family
Lanthanide
Solute Fraction
0.438
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1194
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3070
J/mol·K
Ω Parameter
5.0802
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.787%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5517
smaller = more stable mixing
VEC
10.063
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.418
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8075
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292841
Reference Citation
The crystal structure and related material properties of Dy18Er2Ir7Au5 were obtained from the Materials Project database (MP-ID: mp-3292841, 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_Dy18Er2Ir7Au5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.08499296
_cell_length_b 11.08499288
_cell_length_c 6.31442746
_cell_angle_alpha 89.93234394
_cell_angle_beta 89.93234228
_cell_angle_gamma 89.61668273
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy18Er2Ir7Au5
_chemical_formula_sum 'Dy18 Er2 Ir7 Au5'
_cell_volume 775.87989433
_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 0.29914012 0.09062559 0.36541892 1.0
Dy Dy1 1 0.30086661 0.90706438 0.86406131 1.0
Dy Dy2 1 0.69714593 0.08093975 0.86186991 1.0
Dy Dy3 1 0.69739419 0.90561415 0.36283274 1.0
Dy Dy4 1 0.58084988 0.78437479 0.87812694 1.0
Dy Dy5 1 0.57624837 0.20595271 0.36515128 1.0
Dy Dy6 1 0.41752845 0.78787779 0.37730532 1.0
Dy Dy7 1 0.41058801 0.20766056 0.87824459 1.0
Dy Dy8 1 0.21562521 0.41915012 0.62187306 1.0
Dy Dy9 1 0.21212221 0.58247155 0.12269468 1.0
Dy Dy10 1 0.79404729 0.42375163 0.13484872 1.0
Dy Dy11 1 0.79233944 0.58941199 0.62175541 1.0
Dy Dy12 1 0.90937441 0.70085988 0.13458108 1.0
Dy Dy13 1 0.91906025 0.30285407 0.63813009 1.0
Dy Dy14 1 0.09293562 0.69913339 0.63593869 1.0
Dy Dy15 1 0.09438585 0.30260581 0.13716726 1.0
Dy Dy16 1 0.99722156 0.00065671 0.49890489 1.0
Dy Dy17 1 0.99934329 0.00277844 0.00109511 1.0
Er Er18 1 0.49672807 0.50073338 0.00177755 1.0
Er Er19 1 0.49926662 0.50327193 0.49822245 1.0
Ir Ir20 1 0.65263951 0.64953143 0.25025802 1.0
Ir Ir21 1 0.35046857 0.34736049 0.24974198 1.0
Ir Ir22 1 0.34753578 0.65246422 0.75000000 1.0
Ir Ir23 1 0.49873686 0.99881988 0.11133982 1.0
Ir Ir24 1 0.49854412 0.99951421 0.61315027 1.0
Ir Ir25 1 0.00048579 0.50145588 0.88684973 1.0
Ir Ir26 1 0.00118012 0.50126314 0.38866018 1.0
Au Au27 1 0.84070523 0.15929477 0.25000000 1.0
Au Au28 1 0.84278896 0.84632077 0.75192632 1.0
Au Au29 1 0.15367923 0.15721104 0.74807368 1.0
Au Au30 1 0.15573387 0.84426613 0.25000000 1.0
Au Au31 1 0.65528856 0.34471144 0.75000000 1.0
