Basic Information
Formula
DyCd2
MP-ID
mp-11294
Elements
2
Sites
3
Density
8.8717
g/cm³
Volume
72.50
ų
Cell a
4.9103
Å
Cell b
4.9103
Å
Cell c
3.4719
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 20.89 | 4.2524 | 2.1 | (1,0,-1,0) |
| 20.89 | 4.2524 | 4.1 | (1,-1,0,0) |
| 25.66 | 3.4719 | 3.3 | (0,0,0,1) |
| 33.32 | 2.6894 | 50.0 | (1,0,-1,1) |
| 33.32 | 2.6894 | 100.0 | (1,-1,0,1) |
| 36.60 | 2.4552 | 77.8 | (2,-1,-1,0) |
| 36.60 | 2.4552 | 38.9 | (1,-2,1,0) |
| 45.24 | 2.0046 | 2.5 | (2,-1,-1,1) |
| 45.24 | 2.0046 | 1.3 | (1,-2,1,1) |
| 50.32 | 1.8132 | 15.4 | (2,0,-2,1) |
| 50.32 | 1.8132 | 30.9 | (2,-2,0,1) |
| 52.73 | 1.7360 | 13.4 | (0,0,0,2) |
| 63.81 | 1.4586 | 22.4 | (3,-1,-2,1) |
| 63.81 | 1.4586 | 7.5 | (3,-2,-1,1) |
| 63.81 | 1.4586 | 14.9 | (2,-3,1,1) |
| 65.89 | 1.4175 | 6.7 | (3,0,-3,0) |
| 65.89 | 1.4175 | 6.7 | (0,3,-3,0) |
| 65.89 | 1.4175 | 6.7 | (3,-3,0,0) |
| 65.90 | 1.4174 | 26.8 | (2,-1,-1,2) |
| 65.90 | 1.4174 | 13.4 | (1,-2,1,2) |
| 77.81 | 1.2276 | 8.3 | (4,-2,-2,0) |
| 77.81 | 1.2276 | 4.2 | (2,-4,2,0) |
| 87.31 | 1.1167 | 6.4 | (4,-1,-3,1) |
| 87.31 | 1.1167 | 6.4 | (4,-3,-1,1) |
Energy Properties
Formation Energy/atom
-0.28151
eV/atom
Energy/atom
-2.46097
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.4336
eV/atom
Volume/atom
24.17
ų
c/a Ratio
0.7071
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
57.069
GPa
GVRH
32.037
GPa
Young's Modulus E
80.961
GPa
Poisson Ratio ν
0.264
Pugh Ratio K/G
1.781
Vickers Hardness Est.
4.735
GPa
Ductility
Brittle
Anisotropy
0.324
Lame λ
35.711
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.667
Element Family
4d-TM
Solute Fraction
0.333
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3240
Homogeneous Poisson ν
0.2640
Debye Temperature
260.8
K
Sound Velocity
2,113.1
m/s
Homogeneity
0.2640
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11294
Reference Citation
The crystal structure and related material properties of DyCd2 were obtained from the Materials Project database (MP-ID: mp-11294, 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_DyCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91029385
_cell_length_b 4.91029258
_cell_length_c 3.47193368
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998788
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyCd2
_chemical_formula_sum 'Dy1 Cd2'
_cell_volume 72.49648641
_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
Cd Cd1 1 0.33333300 0.66666700 0.50000000 1.0
Cd Cd2 1 0.66666700 0.33333300 0.50000000 1.0
