Basic Information
Formula
Dy(Al2Cr)4
MP-ID
mp-985207
Elements
3
Sites
13
Density
4.8457
g/cm³
Volume
200.93
ų
Cell a
6.7983
Å
Cell b
6.7983
Å
Cell c
6.7983
Å
α Angle
97.90
°
β Angle
97.90
°
γ Angle
136.48
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
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 |
|---|---|---|---|
| 14.03 | 6.3139 | 61.0 | (1,-1,0) |
| 19.89 | 4.4646 | 1.7 | (1,-1,1) |
| 20.23 | 4.3892 | 54.5 | (1,0,-1) |
| 28.27 | 3.1570 | 42.8 | (2,-2,0) |
| 28.52 | 3.1299 | 71.8 | (2,-1,0) |
| 31.69 | 2.8237 | 35.0 | (2,-2,1) |
| 35.01 | 2.5629 | 55.5 | (2,-1,-2) |
| 35.63 | 2.5200 | 5.9 | (1,1,-1) |
| 38.46 | 2.3405 | 11.1 | (1,1,-2) |
| 40.41 | 2.2323 | 76.8 | (2,-2,2) |
| 40.59 | 2.2227 | 90.1 | (1,0,-3) |
| 41.13 | 2.1946 | 100.0 | (2,0,-2) |
| 42.97 | 2.1046 | 12.2 | (3,-3,0) |
| 45.43 | 1.9966 | 5.9 | (3,-3,1) |
| 45.59 | 1.9898 | 2.4 | (3,-2,-2) |
| 46.09 | 1.9695 | 17.0 | (3,-1,-1) |
| 48.41 | 1.8802 | 21.6 | (2,0,-3) |
| 52.24 | 1.7512 | 8.1 | (3,-3,2) |
| 54.51 | 1.6833 | 17.9 | (3,-2,-3) |
| 54.95 | 1.6710 | 1.4 | (3,-1,-3) |
| 55.67 | 1.6511 | 3.8 | (2,1,-2) |
| 57.01 | 1.6154 | 10.6 | (1,1,-4) |
| 58.47 | 1.5785 | 15.6 | (4,-4,0) |
| 58.61 | 1.5751 | 6.8 | (4,-3,-2) |
Energy Properties
Formation Energy/atom
-0.22018
eV/atom
Energy/atom
-11.46110
eV/atom
Energy above Hull
0.0116
eV/atom
Uncorrected Energy
-5.8414
eV/atom
Volume/atom
15.46
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.8669
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.014270
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
0.751
Family
Al-based Alloy
Matrix Element
Al · 0.615
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-985207
Reference Citation
The crystal structure and related material properties of Dy(Al2Cr)4 were obtained from the Materials Project database (MP-ID: mp-985207, 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(Al2Cr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79825625
_cell_length_b 6.79825625
_cell_length_c 6.79825625
_cell_angle_alpha 97.89803488
_cell_angle_beta 97.89803488
_cell_angle_gamma 136.48372831
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy(Al2Cr)4
_chemical_formula_sum 'Dy1 Al8 Cr4'
_cell_volume 200.92630298
_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 0.27795800 0.50000000 0.77795800 1.0
Al Al2 1 0.50000000 0.72204200 0.22204200 1.0
Al Al3 1 0.66246400 0.00000000 0.66246400 1.0
Al Al4 1 0.00000000 0.33753600 0.33753600 1.0
Al Al5 1 0.00000000 0.66246400 0.66246400 1.0
Al Al6 1 0.33753600 0.00000000 0.33753600 1.0
Al Al7 1 0.72204200 0.50000000 0.22204200 1.0
Al Al8 1 0.50000000 0.27795800 0.77795800 1.0
Cr Cr9 1 0.00000000 0.00000000 0.50000000 1.0
Cr Cr10 1 0.50000000 0.50000000 0.50000000 1.0
Cr Cr11 1 0.50000000 0.00000000 0.00000000 1.0
Cr Cr12 1 0.00000000 0.50000000 0.00000000 1.0
