Hf2Cd
Traditional Materials TRAMP-ID: mp-1018156 · Space group: I4/mmm (#139)
Basic Information
Formula
Hf2Cd
MP-ID
mp-1018156
Elements
2
Sites
3
Density
12.0737
g/cm³
Volume
64.56
ų
Cell a
3.0625
Å
Cell b
3.0625
Å
Cell c
7.2159
Å
α Angle
102.25
°
β Angle
102.25
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 12.86 | 6.8833 | 8.0 | (0,0,1) |
| 29.89 | 2.9894 | 1.8 | (1,0,-1) |
| 35.23 | 2.5473 | 100.0 | (1,0,-2) |
| 39.27 | 2.2944 | 18.1 | (0,0,3) |
| 41.71 | 2.1655 | 31.6 | (1,-1,0) |
| 43.83 | 2.0657 | 1.3 | (1,-1,1) |
| 44.24 | 2.0475 | 3.0 | (1,0,-3) |
| 58.62 | 1.5749 | 22.4 | (1,1,-4) |
| 60.46 | 1.5313 | 10.5 | (2,0,-1) |
| 68.58 | 1.3684 | 13.4 | (1,0,-5) |
| 71.95 | 1.3124 | 24.9 | (2,1,-3) |
| 74.50 | 1.2737 | 5.5 | (2,0,-4) |
| 74.50 | 1.2737 | 5.5 | (2,0,2) |
| 77.91 | 1.2263 | 1.3 | (2,1,-4) |
| 84.44 | 1.1472 | 1.8 | (0,0,6) |
Energy Properties
Formation Energy/atom
-0.09471
eV/atom
Energy/atom
-36.89731
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-36.8973
eV/atom
Volume/atom
21.52
ų
c/a Ratio
2.3562
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
Hf · 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
Hf · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018156
Reference Citation
The crystal structure and related material properties of Hf2Cd were obtained from the Materials Project database (MP-ID: mp-1018156, 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_Hf2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06249010
_cell_length_b 3.06249010
_cell_length_c 7.21586714
_cell_angle_alpha 102.25162235
_cell_angle_beta 102.25162235
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2Cd
_chemical_formula_sum 'Hf2 Cd1'
_cell_volume 64.55706315
_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
Hf Hf0 1 0.67204315 0.67204315 0.34408631 1.0
Hf Hf1 1 0.32795685 0.32795685 0.65591369 1.0
Cd Cd2 1 0.00000000 0.00000000 0.00000000 1.0
