Basic Information
Formula
HfGeOs
MP-ID
mp-1095196
Elements
3
Sites
9
Density
15.0343
g/cm³
Volume
146.24
ų
Cell a
6.6904
Å
Cell b
6.6904
Å
Cell c
3.7726
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
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 |
|---|---|---|---|
| 15.29 | 5.7941 | 3.3 | (1,0,-1,0) |
| 23.58 | 3.7726 | 1.1 | (0,0,0,1) |
| 26.65 | 3.3452 | 6.4 | (2,-1,-1,0) |
| 28.23 | 3.1615 | 11.1 | (1,0,-1,1) |
| 30.87 | 2.8970 | 4.3 | (2,0,-2,0) |
| 35.88 | 2.5030 | 100.0 | (2,-1,-1,1) |
| 39.21 | 2.2977 | 51.0 | (2,0,-2,1) |
| 39.21 | 2.2977 | 25.5 | (2,-2,0,1) |
| 41.22 | 2.1900 | 42.0 | (3,-1,-2,0) |
| 41.22 | 2.1900 | 21.0 | (3,-2,-1,0) |
| 47.05 | 1.9314 | 10.0 | (3,0,-3,0) |
| 47.05 | 1.9314 | 5.0 | (3,-3,0,0) |
| 48.04 | 1.8940 | 17.4 | (3,-1,-2,1) |
| 48.25 | 1.8863 | 25.5 | (0,0,0,2) |
| 54.89 | 1.6726 | 1.5 | (4,-2,-2,0) |
| 55.96 | 1.6431 | 1.2 | (2,-1,-1,2) |
| 57.34 | 1.6070 | 2.9 | (3,1,-4,0) |
| 57.34 | 1.6070 | 5.9 | (4,-1,-3,0) |
| 60.55 | 1.5291 | 1.7 | (4,-2,-2,1) |
| 62.86 | 1.4785 | 14.1 | (4,-1,-3,1) |
| 62.86 | 1.4785 | 7.0 | (4,-3,-1,1) |
| 64.31 | 1.4485 | 4.0 | (4,0,-4,0) |
| 64.31 | 1.4485 | 2.0 | (4,-4,0,0) |
| 65.29 | 1.4292 | 32.9 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-0.67371
eV/atom
Energy/atom
-38.00992
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.0099
eV/atom
Volume/atom
16.25
ų
c/a Ratio
0.5639
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 · 0.333
Element Family
N/A
Solute Fraction
0.667
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.430
Family
Hf-rich Multi-Component
Matrix Element
Hf · 0.333
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1095196
Reference Citation
The crystal structure and related material properties of HfGeOs were obtained from the Materials Project database (MP-ID: mp-1095196, 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_HfGeOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69040023
_cell_length_b 6.69040023
_cell_length_c 3.77264370
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999401
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfGeOs
_chemical_formula_sum 'Hf3 Ge3 Os3'
_cell_volume 146.24487208
_cell_formula_units_Z 3
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 0.41740550 0.00000000 0.50000000 1.0
Hf Hf1 1 0.00000000 0.41740550 0.50000000 1.0
Hf Hf2 1 0.58259450 0.58259450 0.50000000 1.0
Ge Ge3 1 0.33333300 0.66666700 -0.00000000 1.0
Ge Ge4 1 0.66666700 0.33333300 -0.00000000 1.0
Ge Ge5 1 0.00000000 0.00000000 0.50000000 1.0
Os Os6 1 0.75314052 -0.00000000 -0.00000000 1.0
Os Os7 1 -0.00000000 0.75314052 -0.00000000 1.0
Os Os8 1 0.24685948 0.24685948 0.00000000 1.0
