Basic Information
Formula
HfPt
MP-ID
mp-1007691
Elements
2
Sites
4
Density
16.7368
g/cm³
Volume
74.13
ų
Cell a
3.3697
Å
Cell b
4.2631
Å
Cell c
5.4283
Å
α Angle
90.00
°
β Angle
71.92
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 17.18 | 5.1602 | 3.2 | (0,0,1) |
| 27.85 | 3.2033 | 3.7 | (1,0,1) |
| 34.77 | 2.5801 | 37.1 | (0,0,2) |
| 35.04 | 2.5609 | 100.0 | (1,1,1) |
| 37.36 | 2.4072 | 10.7 | (1,0,2) |
| 40.88 | 2.2073 | 25.0 | (0,1,2) |
| 42.41 | 2.1316 | 33.9 | (0,2,0) |
| 43.16 | 2.0962 | 34.0 | (1,1,2) |
| 43.16 | 2.0962 | 34.0 | (1,1,-1) |
| 51.50 | 1.7746 | 1.4 | (1,2,1) |
| 51.95 | 1.7601 | 3.0 | (1,0,3) |
| 51.95 | 1.7601 | 3.0 | (1,0,-2) |
| 54.46 | 1.6849 | 16.5 | (2,0,1) |
| 55.96 | 1.6433 | 19.3 | (0,2,2) |
| 56.57 | 1.6269 | 3.6 | (1,1,3) |
| 56.57 | 1.6269 | 3.6 | (1,1,-2) |
| 57.77 | 1.5959 | 6.1 | (1,2,2) |
| 57.80 | 1.5951 | 1.0 | (0,1,3) |
| 66.25 | 1.4107 | 5.8 | (2,0,3) |
| 66.25 | 1.4107 | 5.8 | (2,0,-1) |
| 69.22 | 1.3572 | 2.5 | (1,2,3) |
| 69.22 | 1.3572 | 2.5 | (1,2,-2) |
| 69.61 | 1.3507 | 4.8 | (1,0,4) |
| 69.61 | 1.3507 | 4.8 | (1,0,-3) |
Energy Properties
Formation Energy/atom
-1.26059
eV/atom
Energy/atom
-49.58015
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-49.5802
eV/atom
Volume/atom
18.53
ų
c/a Ratio
1.6109
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
176.476
GPa
GVRH
55.584
GPa
Young's Modulus E
150.908
GPa
Poisson Ratio ν
0.357
Pugh Ratio K/G
3.175
Vickers Hardness Est.
2.430
GPa
Ductility
Brittle
Anisotropy
2.497
Lame λ
139.420
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.4970
Homogeneous Poisson ν
0.3570
Debye Temperature
230.7
K
Sound Velocity
2,051.0
m/s
Homogeneity
0.3570
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1007691
Reference Citation
The crystal structure and related material properties of HfPt were obtained from the Materials Project database (MP-ID: mp-1007691, 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_HfPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36970902
_cell_length_b 4.26313720
_cell_length_c 5.42824526
_cell_angle_alpha 90.00000000
_cell_angle_beta 71.91745921
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfPt
_chemical_formula_sum 'Hf2 Pt2'
_cell_volume 74.12824415
_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
Hf Hf0 1 0.14230623 0.75000000 0.71538754 1.0
Hf Hf1 1 0.85769377 0.25000000 0.28461246 1.0
Pt Pt2 1 0.40688442 0.75000000 0.18623317 1.0
Pt Pt3 1 0.59311558 0.25000000 0.81376683 1.0
