HfPd
传统材料 TRAMP-ID: mp-1002106 · Space group: Pm-3m (#221)
Basic Information
Formula
HfPd
MP-ID
mp-1002106
Elements
2
Sites
2
Density
13.0982
g/cm³
Volume
36.12
ų
Cell a
3.3056
Å
Cell b
3.3056
Å
Cell c
3.3056
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.97 | 3.3056 | 6.9 | (1,0,0) |
| 38.52 | 2.3374 | 100.0 | (1,1,0) |
| 47.65 | 1.9085 | 2.1 | (1,1,1) |
| 55.61 | 1.6528 | 17.2 | (2,0,0) |
| 62.86 | 1.4783 | 2.9 | (2,1,0) |
| 69.68 | 1.3495 | 34.9 | (2,1,1) |
| 82.54 | 1.1687 | 11.1 | (2,2,0) |
| 88.80 | 1.1019 | 1.6 | (3,0,0) |
Energy Properties
Formation Energy/atom
-0.60291
eV/atom
Energy/atom
-34.65884
eV/atom
Energy above Hull
0.1034
eV/atom
Uncorrected Energy
-34.6588
eV/atom
Volume/atom
18.06
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
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.555
Family
Binary Alloy
Matrix Element
Hf · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1002106
Reference Citation
The crystal structure and related material properties of HfPd were obtained from the Materials Project database (MP-ID: mp-1002106, 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_HfPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30558441
_cell_length_b 3.30558441
_cell_length_c 3.30558441
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfPd
_chemical_formula_sum 'Hf1 Pd1'
_cell_volume 36.11975159
_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 -0.00000000 0.00000000 -0.00000000 1.0
Pd Pd1 1 0.50000000 0.50000000 0.50000000 1.0
