Ge
传统材料 TRAMP-ID: mp-1091415 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Ge
MP-ID
mp-1091415
Elements
1
Sites
8
Density
5.2850
g/cm³
Volume
182.59
ų
Cell a
4.0031
Å
Cell b
4.0031
Å
Cell c
13.1567
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 |
|---|---|---|---|
| 25.70 | 3.4668 | 26.4 | (1,0,-1,0) |
| 25.70 | 3.4668 | 13.2 | (1,-1,0,0) |
| 26.59 | 3.3524 | 100.0 | (1,0,-1,1) |
| 26.59 | 3.3524 | 50.0 | (1,-1,0,1) |
| 27.11 | 3.2892 | 91.3 | (0,0,0,4) |
| 29.12 | 3.0670 | 51.4 | (1,0,-1,2) |
| 29.12 | 3.0670 | 25.7 | (1,-1,0,2) |
| 32.93 | 2.7197 | 3.3 | (1,0,-1,3) |
| 32.93 | 2.7197 | 1.7 | (1,-1,0,3) |
| 37.70 | 2.3861 | 8.8 | (1,0,-1,4) |
| 37.70 | 2.3861 | 4.4 | (1,-1,0,4) |
| 43.16 | 2.0960 | 37.6 | (1,0,-1,5) |
| 43.16 | 2.0960 | 18.8 | (1,-1,0,5) |
| 45.31 | 2.0016 | 45.0 | (1,1,-2,0) |
| 45.31 | 2.0016 | 90.0 | (2,-1,-1,0) |
| 49.16 | 1.8532 | 68.3 | (1,0,-1,6) |
| 49.16 | 1.8532 | 34.2 | (1,-1,0,6) |
| 52.81 | 1.7334 | 3.5 | (2,0,-2,0) |
| 52.81 | 1.7334 | 1.8 | (2,-2,0,0) |
| 53.31 | 1.7186 | 14.3 | (2,0,-2,1) |
| 53.31 | 1.7185 | 7.1 | (2,-2,0,1) |
| 53.60 | 1.7099 | 26.9 | (1,1,-2,4) |
| 53.60 | 1.7099 | 53.8 | (2,-1,-1,4) |
| 54.76 | 1.6762 | 8.5 | (2,0,-2,2) |
Energy Properties
Formation Energy/atom
0.00687
eV/atom
Energy/atom
-13.86510
eV/atom
Energy above Hull
0.0069
eV/atom
Uncorrected Energy
-13.8651
eV/atom
Volume/atom
22.82
ų
c/a Ratio
3.2866
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
Ge · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.568
Family
Pure Metal
Matrix Element
Ge · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1091415
Reference Citation
The crystal structure and related material properties of Ge were obtained from the Materials Project database (MP-ID: mp-1091415, 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_Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00310404
_cell_length_b 4.00310404
_cell_length_c 13.15670686
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99960869
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge
_chemical_formula_sum Ge8
_cell_volume 182.58844844
_cell_formula_units_Z 8
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
Ge Ge0 1 0.00001087 0.99998913 0.59314884 1.0
Ge Ge1 1 0.99998913 0.00001087 0.40685116 1.0
Ge Ge2 1 0.99998913 0.00001087 0.09314884 1.0
Ge Ge3 1 0.00001087 0.99998913 0.90685116 1.0
Ge Ge4 1 0.66667864 0.33332136 0.65594157 1.0
Ge Ge5 1 0.33332136 0.66667864 0.34405843 1.0
Ge Ge6 1 0.33332136 0.66667864 0.15594157 1.0
Ge Ge7 1 0.66667864 0.33332136 0.84405843 1.0
