Basic Information
Formula
Hf2Ge
MP-ID
mp-9939
Elements
2
Sites
6
Density
12.4501
g/cm³
Volume
114.60
ų
Cell a
5.2930
Å
Cell b
5.3531
Å
Cell c
5.3531
Å
α Angle
75.85
°
β Angle
60.37
°
γ Angle
60.37
°
Space Group
I4/mcm
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.07 | 4.6532 | 3.3 | (0,1,0) |
| 27.10 | 3.2903 | 4.2 | (0,1,1) |
| 33.87 | 2.6465 | 28.2 | (2,1,1) |
| 34.88 | 2.5721 | 50.0 | (1,2,1) |
| 34.88 | 2.5721 | 100.0 | (1,1,2) |
| 34.88 | 2.5721 | 50.0 | (1,-1,0) |
| 38.70 | 2.3266 | 8.1 | (0,2,0) |
| 39.16 | 2.3004 | 8.5 | (2,2,1) |
| 39.16 | 2.3004 | 17.1 | (2,1,2) |
| 39.16 | 2.3004 | 8.5 | (2,0,1) |
| 43.49 | 2.0810 | 53.3 | (0,2,1) |
| 43.90 | 2.0622 | 7.8 | (2,2,2) |
| 43.90 | 2.0622 | 7.8 | (2,2,0) |
| 43.90 | 2.0622 | 15.7 | (2,0,0) |
| 53.08 | 1.7254 | 1.9 | (1,1,3) |
| 55.89 | 1.6451 | 5.7 | (0,2,2) |
| 56.23 | 1.6358 | 3.7 | (2,3,2) |
| 56.23 | 1.6358 | 1.2 | (2,2,-1) |
| 56.23 | 1.6358 | 2.5 | (2,0,-1) |
| 56.23 | 1.6358 | 2.5 | (2,-1,0) |
| 59.61 | 1.5511 | 5.1 | (0,3,0) |
| 59.61 | 1.5511 | 5.1 | (0,0,3) |
| 60.60 | 1.5281 | 2.9 | (1,3,2) |
| 60.60 | 1.5281 | 8.8 | (1,3,-1) |
Energy Properties
Formation Energy/atom
-0.72105
eV/atom
Energy/atom
-35.44599
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.4460
eV/atom
Volume/atom
19.10
ų
c/a Ratio
1.0114
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
133.014
GPa
GVRH
91.279
GPa
Young's Modulus E
222.859
GPa
Poisson Ratio ν
0.221
Pugh Ratio K/G
1.457
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.112
Lame λ
72.161
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Hf · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Hf · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9939
Reference Citation
The crystal structure and related material properties of Hf2Ge were obtained from the Materials Project database (MP-ID: mp-9939, 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_Hf2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29294542
_cell_length_b 5.35309560
_cell_length_c 5.35309422
_cell_angle_alpha 75.85281495
_cell_angle_beta 60.37100184
_cell_angle_gamma 60.37097914
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2Ge
_chemical_formula_sum 'Hf4 Ge2'
_cell_volume 114.60179902
_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 0.65576085 0.18847830 0.50000000 1.0
Hf Hf1 1 0.84423915 0.50000000 0.81152170 1.0
Hf Hf2 1 0.34423915 0.81152170 0.50000000 1.0
Hf Hf3 1 0.15576085 0.50000000 0.18847830 1.0
Ge Ge4 1 0.75000000 -0.00000000 -0.00000000 1.0
Ge Ge5 1 0.25000000 -0.00000000 -0.00000000 1.0
