Mn2Ge
传统材料 TRAMP-ID: mp-1008920 · Space group: F-43m (#216)
Basic Information
Formula
Mn2Ge
MP-ID
mp-1008920
Elements
2
Sites
3
Density
7.4400
g/cm³
Volume
40.74
ų
Cell a
3.8622
Å
Cell b
3.8622
Å
Cell c
3.8622
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.30 | 3.1534 | 28.5 | (1,1,1) |
| 32.79 | 2.7310 | 23.1 | (1,1,0) |
| 47.06 | 1.9311 | 100.0 | (2,1,1) |
| 55.83 | 1.6468 | 11.7 | (2,2,1) |
| 58.54 | 1.5767 | 5.7 | (2,2,2) |
| 68.75 | 1.3655 | 14.9 | (2,2,0) |
| 75.94 | 1.2531 | 4.5 | (3,2,2) |
| 78.28 | 1.2213 | 7.2 | (3,2,1) |
| 87.49 | 1.1149 | 30.4 | (3,3,2) |
Energy Properties
Formation Energy/atom
0.13289
eV/atom
Energy/atom
-7.51613
eV/atom
Energy above Hull
0.2291
eV/atom
Uncorrected Energy
-7.5161
eV/atom
Volume/atom
13.58
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
174.991
GPa
GVRH
10.534
GPa
Young's Modulus E
30.980
GPa
Poisson Ratio ν
0.470
Pugh Ratio K/G
16.612
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-100.713
Lame λ
167.968
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.715
Family
Binary Alloy
Matrix Element
Mn · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008920
Reference Citation
The crystal structure and related material properties of Mn2Ge were obtained from the Materials Project database (MP-ID: mp-1008920, 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_Mn2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86215926
_cell_length_b 3.86215926
_cell_length_c 3.86215926
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2Ge
_chemical_formula_sum 'Mn2 Ge1'
_cell_volume 40.73573305
_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
Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0
Mn Mn1 1 0.25000000 0.25000000 0.25000000 1.0
Ge Ge2 1 0.75000000 0.75000000 0.75000000 1.0
