Basic Information
Formula
Sc2MnGe
MP-ID
mp-999258
Elements
3
Sites
4
Density
4.9752
g/cm³
Volume
72.59
ų
Cell a
4.6824
Å
Cell b
4.6824
Å
Cell c
4.6824
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.27 | 3.8231 | 1.7 | (1,1,1) |
| 26.93 | 3.3109 | 4.5 | (1,1,0) |
| 38.45 | 2.3412 | 100.0 | (2,1,1) |
| 45.43 | 1.9966 | 1.1 | (2,2,1) |
| 47.57 | 1.9116 | 1.4 | (2,2,2) |
| 55.51 | 1.6555 | 16.0 | (2,2,0) |
| 62.75 | 1.4807 | 1.9 | (3,2,1) |
| 69.55 | 1.3517 | 30.9 | (3,3,2) |
| 82.38 | 1.1706 | 9.4 | (4,2,2) |
Energy Properties
Formation Energy/atom
-0.31232
eV/atom
Energy/atom
-6.92481
eV/atom
Energy above Hull
0.2857
eV/atom
Uncorrected Energy
-6.9248
eV/atom
Volume/atom
18.15
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
2.5961
μB
Mag. Ordering
FiM
Mag. Sites
3
Magnetization/Volume
0.035760
μB/ų
Elastic Properties
KVRH
81.341
GPa
GVRH
32.765
GPa
Young's Modulus E
86.659
GPa
Poisson Ratio ν
0.322
Pugh Ratio K/G
2.483
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.553
Lame λ
59.498
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sc · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.318
Family
Sc-rich Multi-Component
Matrix Element
Sc · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999258
Reference Citation
The crystal structure and related material properties of Sc2MnGe were obtained from the Materials Project database (MP-ID: mp-999258, 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_Sc2MnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68236211
_cell_length_b 4.68236211
_cell_length_c 4.68236211
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2MnGe
_chemical_formula_sum 'Sc2 Mn1 Ge1'
_cell_volume 72.59053422
_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
Sc Sc0 1 0.75000000 0.75000000 0.75000000 1.0
Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0
Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0
Ge Ge3 1 0.00000000 0.00000000 0.00000000 1.0
