Basic Information
Formula
MnFe2Ge
MP-ID
mp-1018071
Elements
3
Sites
4
Density
8.7782
g/cm³
Volume
45.26
ų
Cell a
4.0002
Å
Cell b
4.0002
Å
Cell c
4.0002
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 4)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.31 | 3.2662 | 1.5 | (1,1,1) |
| 45.34 | 2.0001 | 100.0 | (2,1,1) |
| 66.06 | 1.4143 | 15.0 | (2,2,0) |
| 83.76 | 1.1548 | 29.7 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.11002
eV/atom
Energy/atom
-7.79129
eV/atom
Energy above Hull
0.0195
eV/atom
Uncorrected Energy
-14.2828
eV/atom
Volume/atom
11.32
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.0099
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.066500
μB/ų
Elastic Properties
KVRH
213.562
GPa
GVRH
17.647
GPa
Young's Modulus E
51.522
GPa
Poisson Ratio ν
0.460
Pugh Ratio K/G
12.102
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
-13.546
Lame λ
201.797
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
-13.5460
Homogeneous Poisson ν
0.4600
Debye Temperature
214.5
K
Sound Velocity
1,617.6
m/s
Homogeneity
0.4600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018071
Reference Citation
The crystal structure and related material properties of MnFe2Ge were obtained from the Materials Project database (MP-ID: mp-1018071, 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_MnFe2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00019904
_cell_length_b 4.00019904
_cell_length_c 4.00019904
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnFe2Ge
_chemical_formula_sum 'Mn1 Fe2 Ge1'
_cell_volume 45.26159010
_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
Fe Fe1 1 0.25000000 0.25000000 0.25000000 1.0
Fe Fe2 1 0.75000000 0.75000000 0.75000000 1.0
Ge Ge3 1 0.50000000 0.50000000 0.50000000 1.0
