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Dy2AlRuRh

High-Entropy Materials HEA

MP-ID: mp-3253269 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula
Dy2AlRuRh
MP-ID
mp-3253269
Elements
4
Sites
5
Density
9.3189
g/cm³
Volume
99.07
ų
Cell a
5.5075
Å
Cell b
5.5075
Å
Cell c
5.5075
Å
α Angle
137.32
°
β Angle
115.50
°
γ Angle
80.47
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
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)
2θd (Å)Ihkl
18.42 4.8176 19.6 (1,0,0)
24.60 3.6185 11.3 (1,0,-1)
26.92 3.3118 47.7 (1,-1,0)
26.92 3.3118 47.7 (0,0,1)
30.42 2.9389 8.6 (1,-1,1)
34.47 2.6016 28.6 (2,0,-1)
34.47 2.6016 85.8 (0,2,-1)
35.48 2.5301 43.6 (2,1,-1)
37.33 2.4088 100.0 (2,0,0)
39.22 2.2971 86.1 (2,1,-2)
39.50 2.2813 24.1 (2,-1,0)
39.50 2.2813 24.1 (1,-2,1)
39.50 2.2813 48.3 (0,1,-2)
43.03 2.1023 19.8 (2,2,-2)
45.24 2.0043 46.0 (1,-1,-1)
49.24 1.8505 1.6 (2,-1,-1)
49.24 1.8505 1.6 (1,0,-2)
51.49 1.7749 1.4 (1,3,-2)
51.95 1.7603 10.8 (2,-2,1)
51.95 1.7603 10.8 (1,-1,2)
53.60 1.7098 1.0 (3,1,-1)
55.49 1.6559 1.7 (2,-2,0)
55.49 1.6559 1.7 (0,0,2)
56.69 1.6237 9.8 (3,-1,0)
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Energy Properties

Formation Energy/atom
-0.77478
eV/atom
Energy/atom
-24.82608
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.8261
eV/atom
Volume/atom
19.81
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
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 · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3322
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0757
J/mol·K
Ω Parameter
5.8184
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.420%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4594
smaller = more stable mixing
VEC
8.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.479
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9610
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)
aaahdcnt

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3253269
Reference Citation

The crystal structure and related material properties of Dy2AlRuRh were obtained from the Materials Project database (MP-ID: mp-3253269, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Dy2AlRuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50748103
_cell_length_b   5.50748071
_cell_length_c   5.50748025
_cell_angle_alpha   137.31716645
_cell_angle_beta   115.49937602
_cell_angle_gamma   80.46681445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2AlRuRh
_chemical_formula_sum   'Dy2 Al1 Ru1 Rh1'
_cell_volume   99.06609202
_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  0.29617756  0.79930979  0.49686677  1.0
  Dy  Dy1  1  0.69755698  0.20069021  0.49686677  1.0
  Al  Al2  1  0.00467514  0.00000000  0.00467514  1.0
  Ru  Ru3  1  0.25975052  0.50000000  0.75975052  1.0
  Rh  Rh4  1  0.74183980  0.50000000  0.24183980  1.0
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