Basic Information
Formula
DyAlZn
MP-ID
mp-1018674
Elements
3
Sites
6
Density
6.9052
g/cm³
Volume
122.59
ų
Cell a
4.4408
Å
Cell b
4.4411
Å
Cell c
7.1773
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 23.13 | 3.8462 | 18.6 | (0,1,-1,0) |
| 23.13 | 3.8459 | 37.1 | (1,0,-1,0) |
| 24.81 | 3.5887 | 4.6 | (0,0,0,2) |
| 26.29 | 3.3901 | 3.3 | (0,1,-1,1) |
| 26.29 | 3.3899 | 6.6 | (1,0,-1,1) |
| 34.17 | 2.6239 | 50.0 | (0,1,-1,2) |
| 34.17 | 2.6238 | 100.0 | (1,0,-1,2) |
| 40.63 | 2.2205 | 47.3 | (1,1,-2,0) |
| 40.63 | 2.2204 | 23.6 | (2,-1,-1,0) |
| 44.60 | 2.0315 | 1.6 | (1,0,-1,3) |
| 47.27 | 1.9231 | 2.9 | (0,2,-2,0) |
| 47.27 | 1.9230 | 5.7 | (2,0,-2,0) |
| 48.19 | 1.8883 | 3.5 | (1,1,-2,2) |
| 48.19 | 1.8882 | 1.7 | (2,-1,-1,2) |
| 49.04 | 1.8575 | 1.2 | (2,0,-2,1) |
| 50.89 | 1.7943 | 12.2 | (0,0,0,4) |
| 54.11 | 1.6951 | 13.4 | (0,2,-2,2) |
| 54.11 | 1.6950 | 26.8 | (2,0,-2,2) |
| 56.60 | 1.6261 | 3.4 | (0,1,-1,4) |
| 56.60 | 1.6261 | 6.8 | (1,0,-1,4) |
| 64.05 | 1.4537 | 2.4 | (1,2,-3,0) |
| 64.06 | 1.4537 | 2.4 | (2,1,-3,0) |
| 64.06 | 1.4536 | 2.4 | (3,-1,-2,0) |
| 67.06 | 1.3956 | 21.0 | (1,1,-2,4) |
Energy Properties
Formation Energy/atom
-0.51126
eV/atom
Energy/atom
-16.38609
eV/atom
Energy above Hull
0.0060
eV/atom
Uncorrected Energy
-16.3861
eV/atom
Volume/atom
20.43
ų
c/a Ratio
1.6162
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
70.298
GPa
GVRH
47.339
GPa
Young's Modulus E
115.983
GPa
Poisson Ratio ν
0.225
Pugh Ratio K/G
1.485
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.792
Lame λ
38.739
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.333
Element Family
Lanthanide
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
22.6488
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.678%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1940
smaller = more stable mixing
VEC
8.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.444
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018674
Reference Citation
The crystal structure and related material properties of DyAlZn were obtained from the Materials Project database (MP-ID: mp-1018674, 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_DyAlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44082215
_cell_length_b 4.44108753
_cell_length_c 7.17731886
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99802342
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyAlZn
_chemical_formula_sum 'Dy2 Al2 Zn2'
_cell_volume 122.58977134
_cell_formula_units_Z 2
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 0.00000000 0.50000000 1.0
Dy Dy1 1 0.00000000 0.00000000 0.00000000 1.0
Al Al2 1 0.33327280 0.66654760 0.25000000 1.0
Al Al3 1 0.66672720 0.33345240 0.75000000 1.0
Zn Zn4 1 0.33340222 0.66680645 0.75000000 1.0
Zn Zn5 1 0.66659778 0.33319355 0.25000000 1.0
