HoCd2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-11301 · Space group: P6/mmm (#191)
Basic Information
Formula
HoCd2
MP-ID
mp-11301
Elements
2
Sites
3
Density
9.0283
g/cm³
Volume
71.69
ų
Cell a
5.9912
Å
Cell b
4.8952
Å
Cell c
3.4637
Å
α Angle
89.98
°
β Angle
54.63
°
γ Angle
114.10
°
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 |
|---|---|---|---|
| 20.97 | 4.2367 | 5.9 | (1,-1,0) |
| 20.97 | 4.2363 | 5.9 | (0,1,0) |
| 21.01 | 4.2279 | 5.8 | (1,0,0) |
| 25.72 | 3.4637 | 7.8 | (1,0,1) |
| 33.40 | 2.6827 | 65.4 | (1,1,1) |
| 33.41 | 2.6819 | 65.3 | (2,-1,1) |
| 33.42 | 2.6812 | 63.8 | (0,1,1) |
| 33.42 | 2.6810 | 64.0 | (2,0,1) |
| 33.43 | 2.6802 | 63.8 | (1,-1,1) |
| 33.46 | 2.6777 | 65.2 | (0,0,1) |
| 36.72 | 2.4476 | 100.0 | (1,-2,0) |
| 36.79 | 2.4428 | 99.4 | (2,-1,0) |
| 36.80 | 2.4425 | 99.4 | (1,1,0) |
| 42.69 | 2.1181 | 1.0 | (0,2,0) |
| 42.78 | 2.1140 | 1.0 | (2,0,0) |
| 45.36 | 1.9993 | 1.5 | (0,2,1) |
| 45.38 | 1.9985 | 1.5 | (2,-2,1) |
| 45.41 | 1.9973 | 1.5 | (2,1,1) |
| 45.41 | 1.9971 | 1.5 | (3,-1,1) |
| 45.45 | 1.9954 | 1.5 | (1,-1,-1) |
| 45.47 | 1.9949 | 1.5 | (0,1,-1) |
| 50.48 | 1.8078 | 19.7 | (1,2,1) |
| 50.50 | 1.8074 | 19.8 | (3,-2,1) |
| 50.51 | 1.8070 | 20.2 | (1,-2,-1) |
Energy Properties
Formation Energy/atom
-0.27247
eV/atom
Energy/atom
-2.44503
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.7247
eV/atom
Volume/atom
23.90
ų
c/a Ratio
0.5781
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.1477
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.002060
μB/ų
Elastic Properties
KVRH
57.077
GPa
GVRH
33.057
GPa
Young's Modulus E
83.124
GPa
Poisson Ratio ν
0.257
Pugh Ratio K/G
1.727
Vickers Hardness Est.
5.171
GPa
Ductility
Ductile
Anisotropy
0.207
Lame λ
35.039
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 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
0.623
Family
Binary Alloy
Matrix Element
Cd · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2070
Homogeneous Poisson ν
0.2570
Debye Temperature
263.9
K
Sound Velocity
2,126.2
m/s
Homogeneity
0.2570
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11301
Reference Citation
The crystal structure and related material properties of HoCd2 were obtained from the Materials Project database (MP-ID: mp-11301, 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_HoCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99124212
_cell_length_b 4.89519469
_cell_length_c 3.46366555
_cell_angle_alpha 89.97701753
_cell_angle_beta 54.63154879
_cell_angle_gamma 114.10317543
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoCd2
_chemical_formula_sum 'Ho1 Cd2'
_cell_volume 71.68567500
_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
Ho Ho0 1 -0.00000000 0.00000000 0.99999900 1.0
Cd Cd1 1 0.66648121 0.33328262 0.83474221 1.0
Cd Cd2 1 0.33351879 0.66671738 0.16525879 1.0
