SnPb
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-972692 · Space group: P-6m2 (#187)
Basic Information
Formula
SnPb
MP-ID
mp-972692
Elements
2
Sites
2
Density
9.3132
g/cm³
Volume
58.11
ų
Cell a
3.4498
Å
Cell b
3.4583
Å
Cell c
5.6398
Å
α Angle
89.84
°
β Angle
90.19
°
γ Angle
120.27
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
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 |
|---|---|---|---|
| 15.71 | 5.6398 | 32.6 | (0,0,0,1) |
| 29.83 | 2.9954 | 33.8 | (1,-1,0,0) |
| 29.92 | 2.9867 | 34.7 | (0,1,-1,0) |
| 29.99 | 2.9793 | 35.5 | (1,0,-1,0) |
| 31.73 | 2.8199 | 100.0 | (0,0,0,2) |
| 33.84 | 2.6493 | 65.7 | (1,-1,0,-1) |
| 33.94 | 2.6416 | 65.3 | (1,-1,0,1) |
| 33.95 | 2.6409 | 64.4 | (0,1,-1,1) |
| 33.98 | 2.6380 | 64.1 | (0,1,-1,-1) |
| 34.00 | 2.6366 | 63.4 | (1,0,-1,-1) |
| 34.06 | 2.6320 | 63.0 | (1,0,-1,1) |
| 44.03 | 2.0568 | 12.1 | (1,-1,0,-2) |
| 44.14 | 2.0518 | 12.3 | (0,1,-1,2) |
| 44.18 | 2.0502 | 12.6 | (1,0,-1,-2) |
| 44.19 | 2.0497 | 11.8 | (1,-1,0,2) |
| 44.20 | 2.0490 | 12.3 | (0,1,-1,-2) |
| 44.27 | 2.0458 | 12.6 | (1,0,-1,2) |
| 48.42 | 1.8799 | 2.1 | (0,0,0,3) |
| 52.95 | 1.7292 | 24.4 | (1,-2,1,0) |
| 53.10 | 1.7249 | 24.2 | (2,-1,-1,0) |
| 53.26 | 1.7199 | 24.0 | (1,1,-2,0) |
| 55.54 | 1.6545 | 1.4 | (1,-2,1,-1) |
| 55.64 | 1.6519 | 1.4 | (1,-2,1,1) |
| 55.67 | 1.6509 | 1.4 | (2,-1,-1,-1) |
Energy Properties
Formation Energy/atom
0.14313
eV/atom
Energy/atom
-40.37253
eV/atom
Energy above Hull
0.1431
eV/atom
Uncorrected Energy
-40.3725
eV/atom
Volume/atom
29.05
ų
c/a Ratio
1.6348
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
44.231
GPa
GVRH
14.712
GPa
Young's Modulus E
39.731
GPa
Poisson Ratio ν
0.350
Pugh Ratio K/G
3.006
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
1.110
Lame λ
34.423
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.739
Family
Binary Alloy
Matrix Element
Sn · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.1100
Homogeneous Poisson ν
0.3500
Debye Temperature
136.8
K
Sound Velocity
1,413.2
m/s
Homogeneity
0.3500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-972692
Reference Citation
The crystal structure and related material properties of SnPb were obtained from the Materials Project database (MP-ID: mp-972692, 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_SnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44982022
_cell_length_b 3.45832966
_cell_length_c 5.63980385
_cell_angle_alpha 89.84015672
_cell_angle_beta 90.18557949
_cell_angle_gamma 120.27464030
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnPb
_chemical_formula_sum 'Sn1 Pb1'
_cell_volume 58.10938244
_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 0.33511281 0.66654133 0.25011991 1.0
Pb Pb1 1 0.66488819 0.33346067 0.74987809 1.0
