Li7Sn3
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30768 · Space group: P2_1/m (#11)
Basic Information
Formula
Li7Sn3
MP-ID
mp-30768
Elements
2
Sites
20
Density
3.7278
g/cm³
Volume
360.56
ų
Cell a
4.6972
Å
Cell b
8.5047
Å
Cell c
9.3895
Å
α Angle
74.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 12.44 | 7.1128 | 3.5 | (0,1,1) |
| 16.52 | 5.3676 | 5.9 | (0,1,-1) |
| 21.25 | 4.1819 | 6.8 | (0,2,1) |
| 21.32 | 4.1667 | 13.9 | (1,0,1) |
| 21.74 | 4.0876 | 12.2 | (0,2,0) |
| 21.82 | 4.0728 | 100.0 | (1,1,0) |
| 22.69 | 3.9196 | 11.9 | (1,1,1) |
| 25.03 | 3.5577 | 37.3 | (0,1,-2) |
| 25.04 | 3.5564 | 38.4 | (0,2,2) |
| 25.19 | 3.5348 | 7.6 | (1,1,-1) |
| 26.30 | 3.3890 | 6.4 | (0,2,-1) |
| 27.41 | 3.2543 | 16.2 | (1,0,2) |
| 27.41 | 3.2540 | 17.3 | (1,1,2) |
| 28.58 | 3.1234 | 2.7 | (1,2,1) |
| 29.69 | 3.0086 | 2.3 | (0,0,3) |
| 31.57 | 2.8339 | 3.7 | (0,3,1) |
| 31.70 | 2.8228 | 2.3 | (0,2,3) |
| 32.87 | 2.7251 | 6.3 | (0,3,0) |
| 34.49 | 2.6006 | 1.7 | (0,1,-3) |
| 34.55 | 2.5963 | 8.4 | (1,1,3) |
| 35.43 | 2.5335 | 4.5 | (1,0,3) |
| 36.99 | 2.4300 | 2.0 | (0,3,-1) |
| 37.16 | 2.4195 | 1.4 | (1,2,3) |
| 37.95 | 2.3709 | 1.1 | (0,3,3) |
Energy Properties
Formation Energy/atom
-0.39368
eV/atom
Energy/atom
-2.93280
eV/atom
Energy above Hull
0.0010
eV/atom
Uncorrected Energy
-9.5440
eV/atom
Volume/atom
18.03
ų
c/a Ratio
1.9990
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
30.336
GPa
GVRH
23.766
GPa
Young's Modulus E
56.534
GPa
Poisson Ratio ν
0.189
Pugh Ratio K/G
1.276
Vickers Hardness Est.
6.593
GPa
Ductility
Ductile
Anisotropy
2.983
Lame λ
14.492
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Li · 0.700
Element Family
N/A
Solute Fraction
0.300
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.722
Family
Binary Alloy
Matrix Element
Li · 0.700
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.9830
Homogeneous Poisson ν
0.1890
Debye Temperature
316.1
K
Sound Velocity
2,784.4
m/s
Homogeneity
0.1890
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30768
Reference Citation
The crystal structure and related material properties of Li7Sn3 were obtained from the Materials Project database (MP-ID: mp-30768, 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_Li7Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69720012
_cell_length_b 8.50470968
_cell_length_c 9.38949916
_cell_angle_alpha 73.99907277
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li7Sn3
_chemical_formula_sum 'Li14 Sn6'
_cell_volume 360.56254086
_cell_formula_units_Z 2
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
Li Li0 1 0.75000000 0.39511965 0.27581070 1.0
Li Li1 1 0.25000000 0.60488035 0.72418930 1.0
Li Li2 1 0.75000000 0.00767753 0.87146370 1.0
Li Li3 1 0.25000000 0.99232247 0.12853630 1.0
Li Li4 1 0.75000000 0.99565313 0.37869345 1.0
Li Li5 1 0.25000000 0.00434687 0.62130655 1.0
Li Li6 1 0.75000000 0.79946780 0.68205713 1.0
Li Li7 1 0.25000000 0.20053220 0.31794287 1.0
Li Li8 1 0.75000000 0.81402326 0.16860749 1.0
Li Li9 1 0.25000000 0.18597674 0.83139251 1.0
Li Li10 1 0.75000000 0.59890303 0.46549437 1.0
Li Li11 1 0.25000000 0.40109697 0.53450563 1.0
Li Li12 1 0.75000000 0.60159222 0.98589444 1.0
Li Li13 1 0.25000000 0.39840778 0.01410556 1.0
Sn Sn14 1 0.75000000 0.40325472 0.77620698 1.0
Sn Sn15 1 0.25000000 0.59674528 0.22379302 1.0
Sn Sn16 1 0.75000000 0.19513662 0.08399000 1.0
Sn Sn17 1 0.25000000 0.80486338 0.91601000 1.0
Sn Sn18 1 0.75000000 0.19789691 0.56847624 1.0
Sn Sn19 1 0.25000000 0.80210309 0.43152376 1.0
