SiSn
Elasticity Data ELAMP-ID: mp-1009813 · Space group: F-43m (#216)
Basic Information
Formula
SiSn
MP-ID
mp-1009813
Elements
2
Sites
2
Density
4.3613
g/cm³
Volume
55.89
ų
Cell a
4.2916
Å
Cell b
4.2916
Å
Cell c
4.2916
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.42 | 3.5041 | 100.0 | (1,1,1) |
| 29.43 | 3.0346 | 28.2 | (1,1,0) |
| 42.11 | 2.1458 | 57.4 | (2,1,1) |
| 49.83 | 1.8300 | 49.5 | (2,2,1) |
| 52.21 | 1.7521 | 8.3 | (2,2,2) |
| 61.07 | 1.5173 | 9.8 | (2,2,0) |
| 67.24 | 1.3924 | 20.9 | (3,2,2) |
| 69.23 | 1.3571 | 11.1 | (3,2,1) |
| 76.96 | 1.2389 | 20.7 | (3,3,2) |
| 82.60 | 1.1680 | 16.6 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.15650
eV/atom
Energy/atom
-16.60348
eV/atom
Energy above Hull
0.1565
eV/atom
Uncorrected Energy
-4.5610
eV/atom
Volume/atom
27.95
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Non-metal
Band Gap
0.411
eV
Direct Gap
Yes
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
55.027
GPa
GVRH
37.435
GPa
Young's Modulus E
91.545
GPa
Poisson Ratio ν
0.223
Pugh Ratio K/G
1.470
Vickers Hardness Est.
7.609
GPa
Ductility
Ductile
Anisotropy
0.365
Lame λ
30.070
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3650
Homogeneous Poisson ν
0.2230
Debye Temperature
318.0
K
Sound Velocity
3,242.5
m/s
Homogeneity
0.2230
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009813
Reference Citation
The crystal structure and related material properties of SiSn were obtained from the Materials Project database (MP-ID: mp-1009813, 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_SiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29162763
_cell_length_b 4.29162763
_cell_length_c 4.29162763
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiSn
_chemical_formula_sum 'Si1 Sn1'
_cell_volume 55.89218661
_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
Si Si0 1 0.00000000 0.00000000 0.00000000 1.0
Sn Sn1 1 0.25000000 0.25000000 0.25000000 1.0
