MnSn
传统材料 TRAMP-ID: mp-1009206 · Space group: Pm-3m (#221)
Basic Information
Formula
MnSn
MP-ID
mp-1009206
Elements
2
Sites
2
Density
7.1199
g/cm³
Volume
40.50
ų
Cell a
3.4341
Å
Cell b
3.4341
Å
Cell c
3.4341
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.95 | 3.4341 | 16.2 | (1,0,0) |
| 37.02 | 2.4283 | 100.0 | (1,1,0) |
| 45.76 | 1.9827 | 5.4 | (1,1,1) |
| 53.36 | 1.7171 | 17.3 | (2,0,0) |
| 60.26 | 1.5358 | 7.9 | (2,1,0) |
| 66.72 | 1.4020 | 35.3 | (2,1,1) |
| 78.83 | 1.2141 | 11.1 | (2,2,0) |
| 84.67 | 1.1447 | 4.6 | (2,2,1) |
Energy Properties
Formation Energy/atom
0.13224
eV/atom
Energy/atom
-19.58252
eV/atom
Energy above Hull
0.1322
eV/atom
Uncorrected Energy
-19.5825
eV/atom
Volume/atom
20.25
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
3.9537
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.097630
μB/ų
Elastic Properties
KVRH
27.523
GPa
GVRH
-47.099
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-0.584
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.109
Lame λ
58.922
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.701
Family
Binary Alloy
Matrix Element
Mn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009206
Reference Citation
The crystal structure and related material properties of MnSn were obtained from the Materials Project database (MP-ID: mp-1009206, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_MnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43411701
_cell_length_b 3.43411701
_cell_length_c 3.43411701
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnSn
_chemical_formula_sum 'Mn1 Sn1'
_cell_volume 40.49909012
_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
Sn Sn1 1 0.50000000 0.50000000 0.50000000 1.0
