Dy3Al
Traditional Materials TRAMP-ID: mp-1184122 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Dy3Al
MP-ID
mp-1184122
Elements
2
Sites
8
Density
8.0743
g/cm³
Volume
211.61
ų
Cell a
6.8122
Å
Cell b
6.8122
Å
Cell c
5.2654
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 |
|---|---|---|---|
| 15.02 | 5.8996 | 2.4 | (1,0,-1,0) |
| 22.63 | 3.9284 | 28.0 | (1,0,-1,1) |
| 26.16 | 3.4061 | 9.1 | (2,-1,-1,0) |
| 30.30 | 2.9498 | 24.2 | (2,0,-2,0) |
| 34.05 | 2.6327 | 24.3 | (0,0,0,2) |
| 34.86 | 2.5735 | 100.0 | (2,0,-2,1) |
| 40.45 | 2.2298 | 3.8 | (3,-1,-2,0) |
| 40.45 | 2.2298 | 1.9 | (2,1,-3,0) |
| 43.44 | 2.0830 | 4.8 | (2,-1,-1,2) |
| 44.10 | 2.0533 | 3.4 | (3,-1,-2,1) |
| 46.16 | 1.9665 | 1.5 | (3,0,-3,0) |
| 46.22 | 1.9642 | 5.1 | (2,-2,0,2) |
| 46.22 | 1.9642 | 10.1 | (2,0,-2,2) |
| 49.48 | 1.8422 | 1.5 | (3,0,-3,1) |
| 53.83 | 1.7031 | 18.5 | (4,-2,-2,0) |
| 53.88 | 1.7015 | 5.0 | (3,-1,-2,2) |
| 54.55 | 1.6823 | 2.7 | (1,0,-1,3) |
| 58.59 | 1.5755 | 1.5 | (3,0,-3,2) |
| 59.13 | 1.5625 | 3.3 | (4,-1,-3,1) |
| 61.48 | 1.5083 | 6.5 | (2,-2,0,3) |
| 61.48 | 1.5083 | 13.0 | (2,0,-2,3) |
| 63.03 | 1.4749 | 1.8 | (4,0,-4,0) |
| 65.25 | 1.4300 | 20.7 | (4,-2,-2,2) |
| 65.75 | 1.4202 | 14.9 | (4,0,-4,1) |
Energy Properties
Formation Energy/atom
-0.23901
eV/atom
Energy/atom
-25.90839
eV/atom
Energy above Hull
0.0192
eV/atom
Uncorrected Energy
-25.9084
eV/atom
Volume/atom
26.45
ų
c/a Ratio
0.7729
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.709
Family
Binary Alloy
Matrix Element
Dy · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184122
Reference Citation
The crystal structure and related material properties of Dy3Al were obtained from the Materials Project database (MP-ID: mp-1184122, 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_Dy3Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81222773
_cell_length_b 6.81222773
_cell_length_c 5.26544116
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000708
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy3Al
_chemical_formula_sum 'Dy6 Al2'
_cell_volume 211.61365101
_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 0.82443048 0.17556952 0.75000000 1.0
Dy Dy1 1 0.35114003 0.17556952 0.75000000 1.0
Dy Dy2 1 0.82443048 0.64885997 0.75000000 1.0
Dy Dy3 1 0.17556952 0.82443048 0.25000000 1.0
Dy Dy4 1 0.17556952 0.35114003 0.25000000 1.0
Dy Dy5 1 0.64885997 0.82443048 0.25000000 1.0
Al Al6 1 0.66666700 0.33333300 0.25000000 1.0
Al Al7 1 0.33333300 0.66666700 0.75000000 1.0
