Dy2BeRu2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3249393 · Space group: Immm (#71)
Basic Information
Formula
Dy2BeRu2
MP-ID
mp-3249393
Elements
3
Sites
5
Density
9.9239
g/cm³
Volume
89.71
ų
Cell a
5.5130
Å
Cell b
5.5130
Å
Cell c
5.5130
Å
α Angle
143.87
°
β Angle
111.31
°
γ Angle
80.14
°
Space Group
Immm
Point Group
mmm
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.71 | 5.0068 | 15.7 | (1,0,0) |
| 21.06 | 4.2188 | 2.1 | (1,1,-1) |
| 28.16 | 3.1685 | 10.4 | (1,0,-1) |
| 28.70 | 3.1101 | 5.8 | (1,-1,1) |
| 29.82 | 2.9960 | 76.8 | (1,-1,0) |
| 35.01 | 2.5627 | 32.8 | (2,1,-1) |
| 35.87 | 2.5034 | 100.0 | (2,0,0) |
| 36.79 | 2.4427 | 60.7 | (2,0,-1) |
| 40.65 | 2.2195 | 29.9 | (2,-1,0) |
| 40.65 | 2.2195 | 29.9 | (1,0,1) |
| 41.58 | 2.1720 | 60.5 | (2,1,-2) |
| 42.87 | 2.1094 | 15.8 | (2,2,-2) |
| 45.02 | 2.0135 | 2.8 | (2,-1,1) |
| 51.55 | 1.7728 | 14.2 | (2,-2,1) |
| 53.10 | 1.7248 | 1.2 | (3,1,-2) |
| 53.10 | 1.7248 | 3.6 | (2,2,-3) |
| 53.62 | 1.7093 | 20.4 | (1,-1,-1) |
| 55.02 | 1.6689 | 7.2 | (3,0,0) |
| 56.29 | 1.6344 | 5.4 | (3,-1,0) |
| 56.29 | 1.6344 | 16.2 | (1,-3,2) |
| 56.50 | 1.6287 | 5.8 | (3,2,-2) |
| 56.50 | 1.6287 | 5.8 | (2,3,-3) |
| 56.92 | 1.6177 | 1.6 | (2,-1,-1) |
| 59.44 | 1.5551 | 14.8 | (2,-2,2) |
Energy Properties
Formation Energy/atom
-0.41328
eV/atom
Energy/atom
-24.24341
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.2434
eV/atom
Volume/atom
17.94
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
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
1.5284
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
17.126%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4418
smaller = more stable mixing
VEC
7.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-11.631
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.468
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.400
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3249393
Reference Citation
The crystal structure and related material properties of Dy2BeRu2 were obtained from the Materials Project database (MP-ID: mp-3249393, 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_Dy2BeRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51298909
_cell_length_b 5.51298871
_cell_length_c 5.51298861
_cell_angle_alpha 143.87464877
_cell_angle_beta 111.31390088
_cell_angle_gamma 80.14203558
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2BeRu2
_chemical_formula_sum 'Dy2 Be1 Ru2'
_cell_volume 89.71328607
_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 0.70351359 0.20351459 0.49999900 1.0
Dy Dy1 1 0.29648541 0.79648641 0.50000100 1.0
Be Be2 1 0.00000000 0.00000000 0.00000000 1.0
Ru Ru3 1 0.75531440 0.50000000 0.25531440 1.0
Ru Ru4 1 0.24468460 0.50000100 0.74468560 1.0
