SnGe
弹性数据 ELAMP-ID: mp-995181 · Space group: P3m1 (#156)
Basic Information
Formula
SnGe
MP-ID
mp-995181
Elements
2
Sites
2
Density
1.5309
g/cm³
Volume
207.55
ų
Cell a
4.3636
Å
Cell b
4.3636
Å
Cell c
12.5862
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P3m1
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
hP
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 7.02 | 12.5862 | 100.0 | (0,0,0,1) |
| 14.07 | 6.2931 | 20.5 | (0,0,0,2) |
| 21.18 | 4.1954 | 6.7 | (0,0,0,3) |
| 23.54 | 3.7790 | 6.2 | (1,0,-1,0) |
| 24.60 | 3.6194 | 4.0 | (1,-1,0,1) |
| 24.60 | 3.6194 | 7.9 | (1,0,-1,1) |
| 27.53 | 3.2398 | 10.5 | (1,0,-1,2) |
| 28.36 | 3.1466 | 2.5 | (0,0,0,4) |
| 31.87 | 2.8079 | 8.7 | (1,0,-1,3) |
| 37.18 | 2.4181 | 7.0 | (1,0,-1,4) |
| 41.38 | 2.1818 | 5.0 | (2,-1,-1,0) |
| 42.03 | 2.1498 | 6.1 | (2,-1,-1,1) |
| 42.03 | 2.1498 | 3.1 | (1,1,-2,1) |
| 43.18 | 2.0950 | 5.4 | (1,0,-1,5) |
| 43.92 | 2.0614 | 7.3 | (2,-1,-1,2) |
| 46.94 | 1.9357 | 5.0 | (2,-1,-1,3) |
| 48.73 | 1.8686 | 1.3 | (2,0,-2,1) |
| 49.71 | 1.8341 | 4.0 | (1,0,-1,6) |
| 50.43 | 1.8097 | 2.0 | (2,0,-2,2) |
| 50.93 | 1.7930 | 3.0 | (2,-1,-1,4) |
| 53.16 | 1.7228 | 2.1 | (2,0,-2,3) |
| 55.76 | 1.6487 | 1.5 | (2,-1,-1,5) |
| 56.69 | 1.6236 | 3.0 | (1,0,-1,7) |
| 56.84 | 1.6199 | 1.4 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.49202
eV/atom
Energy/atom
-18.81706
eV/atom
Energy above Hull
0.4920
eV/atom
Uncorrected Energy
-3.8243
eV/atom
Volume/atom
103.77
ų
c/a Ratio
2.8844
Electronic Properties
Metallic
Non-metal
Band Gap
0.209
eV
Direct Gap
Yes
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
4.869
GPa
GVRH
2.614
GPa
Young's Modulus E
6.652
GPa
Poisson Ratio ν
0.272
Pugh Ratio K/G
1.863
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
251.365
Lame λ
3.126
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
251.3650
Homogeneous Poisson ν
0.2720
Debye Temperature
92.1
K
Sound Velocity
1,454.5
m/s
Homogeneity
0.2720
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-995181
Reference Citation
The crystal structure and related material properties of SnGe were obtained from the Materials Project database (MP-ID: mp-995181, 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_SnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36362020
_cell_length_b 4.36362020
_cell_length_c 12.58619800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000299
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnGe
_chemical_formula_sum 'Sn1 Ge1'
_cell_volume 207.54824464
_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
Sn Sn0 1 0.00000000 0.00000000 0.48192100 1.0
Ge Ge1 1 0.33333300 0.66666700 0.54307900 1.0
