Basic Information
Formula
Dy(Al2Cu)4
MP-ID
mp-984726
Elements
3
Sites
13
Density
5.4222
g/cm³
Volume
193.71
ų
Cell a
5.0909
Å
Cell b
6.6731
Å
Cell c
6.6786
Å
α Angle
98.41
°
β Angle
67.46
°
γ Angle
112.42
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 14.36 | 6.1686 | 30.9 | (0,1,0) |
| 14.36 | 6.1685 | 30.9 | (0,0,1) |
| 20.18 | 4.4001 | 29.2 | (1,0,1) |
| 20.21 | 4.3938 | 29.1 | (1,0,0) |
| 20.36 | 4.3618 | 12.9 | (0,1,1) |
| 28.80 | 3.0999 | 20.6 | (1,0,2) |
| 28.82 | 3.0977 | 20.5 | (1,1,1) |
| 28.84 | 3.0955 | 20.5 | (1,1,0) |
| 28.86 | 3.0933 | 20.4 | (1,0,-1) |
| 28.95 | 3.0843 | 41.0 | (0,2,0) |
| 28.95 | 3.0843 | 41.0 | (0,0,2) |
| 32.46 | 2.7587 | 17.4 | (0,2,1) |
| 32.46 | 2.7587 | 17.4 | (0,1,2) |
| 35.26 | 2.5454 | 2.6 | (2,-1,1) |
| 35.53 | 2.5268 | 30.8 | (1,1,2) |
| 35.58 | 2.5232 | 15.3 | (1,1,-1) |
| 35.58 | 2.5232 | 15.3 | (1,-2,-1) |
| 38.22 | 2.3549 | 3.0 | (2,-1,2) |
| 38.25 | 2.3530 | 6.1 | (2,0,1) |
| 38.28 | 2.3510 | 3.0 | (2,-1,0) |
| 41.02 | 2.2001 | 80.1 | (2,0,2) |
| 41.09 | 2.1969 | 79.8 | (2,0,0) |
| 41.28 | 2.1872 | 25.9 | (1,0,3) |
| 41.31 | 2.1857 | 25.9 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.30968
eV/atom
Energy/atom
-4.23121
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.2867
eV/atom
Volume/atom
14.90
ų
c/a Ratio
1.3119
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
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.615
Element Family
N/A
Solute Fraction
0.385
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.759
Family
Al-based Alloy
Matrix Element
Al · 0.615
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-984726
Reference Citation
The crystal structure and related material properties of Dy(Al2Cu)4 were obtained from the Materials Project database (MP-ID: mp-984726, 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_Dy(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09087479
_cell_length_b 6.67313778
_cell_length_c 6.67859285
_cell_angle_alpha 98.40720384
_cell_angle_beta 67.46184935
_cell_angle_gamma 112.42323528
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(Al2Cu)4
_chemical_formula_sum 'Dy1 Al8 Cu4'
_cell_volume 193.71302992
_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 -0.00000000 -0.00000000 1.0
Al Al1 1 0.28137900 0.78127191 0.21873248 1.0
Al Al2 1 0.50010708 0.21872909 0.21873348 1.0
Al Al3 1 0.99988445 0.34828950 0.34830195 1.0
Al Al4 1 0.65159496 0.65170950 0.34830195 1.0
Al Al5 1 0.34840504 0.34828950 0.65169705 1.0
Al Al6 1 0.00011555 0.65170950 0.65169705 1.0
Al Al7 1 0.49989292 0.78127191 0.78126752 1.0
Al Al8 1 0.71862100 0.21872809 0.78126752 1.0
Cu Cu9 1 0.00000100 0.50000000 -0.00000000 1.0
Cu Cu10 1 0.49999900 0.50000000 -0.00000000 1.0
Cu Cu11 1 -0.00000000 -0.00000000 0.50000000 1.0
Cu Cu12 1 0.49999900 -0.00000000 0.50000000 1.0
