Dy8Re3B24Ir
High-Entropy Materials HEAMP-ID: mp-3292135 · Space group: Pm (#6)
Basic Information
Formula
Dy8Re3B24Ir
MP-ID
mp-3292135
Elements
4
Sites
36
Density
9.8706
g/cm³
Volume
388.66
ų
Cell a
3.6762
Å
Cell b
9.1585
Å
Cell c
11.5438
Å
α Angle
90.17
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 15.35 | 5.7719 | 3.8 | (0,0,2) |
| 18.14 | 4.8898 | 2.1 | (0,1,-2) |
| 18.19 | 4.8763 | 1.7 | (0,1,2) |
| 24.21 | 3.6762 | 100.0 | (1,0,0) |
| 28.79 | 3.1007 | 1.2 | (1,0,2) |
| 30.26 | 2.9536 | 17.4 | (0,3,-1) |
| 30.29 | 2.9504 | 14.4 | (0,2,-3) |
| 30.31 | 2.9491 | 16.0 | (0,3,1) |
| 30.39 | 2.9415 | 14.0 | (0,2,3) |
| 30.99 | 2.8859 | 20.1 | (0,0,4) |
| 32.50 | 2.7549 | 14.4 | (0,1,-4) |
| 32.56 | 2.7501 | 15.2 | (0,1,4) |
| 33.16 | 2.7020 | 11.8 | (0,3,-2) |
| 33.24 | 2.6952 | 12.5 | (0,3,2) |
| 37.55 | 2.3951 | 6.6 | (0,3,-3) |
| 37.67 | 2.3880 | 7.5 | (0,3,3) |
| 39.12 | 2.3025 | 21.0 | (1,3,-1) |
| 39.15 | 2.3010 | 17.6 | (1,2,-3) |
| 39.16 | 2.3004 | 19.5 | (1,3,1) |
| 39.22 | 2.2968 | 17.1 | (1,2,3) |
| 39.35 | 2.2896 | 5.1 | (0,4,0) |
| 39.71 | 2.2700 | 24.9 | (1,0,4) |
| 40.13 | 2.2472 | 1.1 | (0,4,-1) |
| 40.26 | 2.2403 | 1.7 | (0,1,-5) |
Energy Properties
Formation Energy/atom
-0.70972
eV/atom
Energy/atom
-18.53633
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.5363
eV/atom
Volume/atom
10.80
ų
c/a Ratio
3.1401
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0013
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
B · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.667
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9112
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5754
J/mol·K
Ω Parameter
4.9827
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
31.218%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3404
smaller = more stable mixing
VEC
5.056
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.502
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6573
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292135
Reference Citation
The crystal structure and related material properties of Dy8Re3B24Ir were obtained from the Materials Project database (MP-ID: mp-3292135, 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_Dy8Re3B24Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67623306
_cell_length_b 9.15852514
_cell_length_c 11.54375793
_cell_angle_alpha 90.17462203
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy8Re3B24Ir
_chemical_formula_sum 'Dy8 Re3 B24 Ir1'
_cell_volume 388.66351311
_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 0.00000000 0.31844822 0.41604395 1.0
Dy Dy1 1 0.00000000 0.67795132 0.59151618 1.0
Dy Dy2 1 0.00000000 0.82785513 0.08053153 1.0
Dy Dy3 1 0.00000000 0.17640450 0.91272203 1.0
Dy Dy4 1 0.00000000 0.94399743 0.37029926 1.0
Dy Dy5 1 0.00000000 0.05618240 0.62874460 1.0
Dy Dy6 1 0.00000000 0.44064875 0.12848593 1.0
Dy Dy7 1 0.00000000 0.55696548 0.87154155 1.0
Re Re8 1 0.00000000 0.36309584 0.67742937 1.0
Re Re9 1 0.00000000 0.13756506 0.17975306 1.0
Re Re10 1 0.00000000 0.86229063 0.82106836 1.0
B B11 1 0.50000000 0.55364223 0.43362543 1.0
B B12 1 0.50000000 0.44692616 0.56705472 1.0
B B13 1 0.50000000 0.05353466 0.06675120 1.0
B B14 1 0.50000000 0.94754672 0.93219137 1.0
B B15 1 0.50000000 0.74823178 0.42007195 1.0
B B16 1 0.50000000 0.25163760 0.58143441 1.0
B B17 1 0.50000000 0.24810535 0.08147805 1.0
B B18 1 0.50000000 0.75286763 0.91861132 1.0
B B19 1 0.50000000 0.79026749 0.26564689 1.0
B B20 1 0.50000000 0.20920021 0.73366143 1.0
B B21 1 0.50000000 0.29089867 0.23481996 1.0
B B22 1 0.50000000 0.70883153 0.76627927 1.0
B B23 1 0.50000000 0.63161017 0.18477840 1.0
B B24 1 0.50000000 0.36947046 0.81339796 1.0
B B25 1 0.50000000 0.13103774 0.31448636 1.0
B B26 1 0.50000000 0.86839655 0.68618376 1.0
B B27 1 0.50000000 0.98311714 0.21175122 1.0
B B28 1 0.50000000 0.01740167 0.78704002 1.0
B B29 1 0.50000000 0.48291943 0.28794147 1.0
B B30 1 0.50000000 0.51789816 0.71241379 1.0
B B31 1 0.50000000 0.60483269 0.02996310 1.0
B B32 1 0.50000000 0.39628214 0.97149712 1.0
B B33 1 0.50000000 0.10331129 0.47055783 1.0
B B34 1 0.50000000 0.89361624 0.52865585 1.0
Ir Ir35 1 0.00000000 0.63701051 0.32157428 1.0
