DyCu2
Traditional Materials TRAMP-ID: mp-1071835 · Space group: Imma (#74)
Basic Information
Formula
DyCu2
MP-ID
mp-1071835
Elements
2
Sites
6
Density
9.2120
g/cm³
Volume
104.40
ų
Cell a
4.2741
Å
Cell b
5.3909
Å
Cell c
5.3909
Å
α Angle
77.31
°
β Angle
66.65
°
γ Angle
66.65
°
Space Group
Imma
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 |
|---|---|---|---|
| 24.17 | 3.6824 | 10.8 | (1,0,0) |
| 24.17 | 3.6824 | 10.8 | (1,1,1) |
| 24.54 | 3.6269 | 7.5 | (0,1,1) |
| 26.47 | 3.3675 | 2.8 | (0,1,-1) |
| 35.08 | 2.5582 | 17.5 | (1,0,-1) |
| 35.08 | 2.5582 | 17.5 | (1,2,1) |
| 36.15 | 2.4850 | 100.0 | (1,1,-1) |
| 36.41 | 2.4678 | 40.1 | (0,2,0) |
| 39.60 | 2.2757 | 11.3 | (0,2,1) |
| 42.14 | 2.1446 | 14.1 | (0,2,-1) |
| 42.29 | 2.1370 | 32.1 | (2,1,1) |
| 42.98 | 2.1045 | 21.3 | (1,-1,-1) |
| 42.98 | 2.1045 | 21.3 | (1,2,2) |
| 49.51 | 1.8412 | 1.2 | (2,0,0) |
| 49.51 | 1.8412 | 1.2 | (2,2,2) |
| 50.59 | 1.8044 | 1.1 | (2,2,0) |
| 54.50 | 1.6837 | 6.9 | (0,2,-2) |
| 55.89 | 1.6452 | 4.6 | (0,3,0) |
| 56.82 | 1.6204 | 3.4 | (1,-1,-2) |
| 56.82 | 1.6204 | 3.4 | (1,3,2) |
| 57.01 | 1.6155 | 10.8 | (2,1,-1) |
| 57.01 | 1.6155 | 10.8 | (2,3,1) |
| 57.74 | 1.5967 | 5.2 | (0,3,1) |
| 59.32 | 1.5578 | 3.5 | (2,0,-1) |
Energy Properties
Formation Energy/atom
-0.27353
eV/atom
Energy/atom
-18.16533
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-18.1653
eV/atom
Volume/atom
17.40
ų
c/a Ratio
1.2613
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
Cu · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.788
Family
Cu-based Alloy
Matrix Element
Cu · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1071835
Reference Citation
The crystal structure and related material properties of DyCu2 were obtained from the Materials Project database (MP-ID: mp-1071835, 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_DyCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27406332
_cell_length_b 5.39085028
_cell_length_c 5.39085028
_cell_angle_alpha 77.31450511
_cell_angle_beta 66.64555321
_cell_angle_gamma 66.64555321
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyCu2
_chemical_formula_sum 'Dy2 Cu4'
_cell_volume 104.40269336
_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 0.54280854 0.70719146 0.20719146 1.0
Dy Dy1 1 0.45719146 0.29280854 0.79280854 1.0
Cu Cu2 1 0.16486306 0.28463390 0.38563998 1.0
Cu Cu3 1 0.83513694 0.71536610 0.61436002 1.0
Cu Cu4 1 0.83513694 0.11436002 0.21536610 1.0
Cu Cu5 1 0.16486306 0.88563998 0.78463390 1.0
