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Li2Sn5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7924 · Space group: P4/mbm (#127)

Basic Information

Formula
Li2Sn5
MP-ID
mp-7924
Elements
2
Sites
14
Density
6.1288
g/cm³
Volume
329.16
ų
Cell a
3.1072
Å
Cell b
10.2924
Å
Cell c
10.2924
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mbm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.23 5.1462 6.3 (0,2,0)
19.28 4.6029 42.5 (0,2,1)
24.46 3.6389 14.3 (0,2,2)
27.40 3.2548 87.6 (0,3,1)
28.73 3.1072 100.0 (1,0,0)
31.34 2.8546 57.3 (0,3,2)
33.70 2.6599 3.7 (1,2,0)
34.84 2.5753 25.2 (1,2,1)
34.87 2.5731 10.0 (0,4,0)
35.98 2.4963 68.5 (0,4,1)
37.06 2.4260 12.4 (0,3,3)
38.08 2.3630 10.3 (1,2,2)
39.14 2.3015 28.9 (0,4,2)
40.12 2.2475 69.3 (1,3,1)
43.03 2.1021 50.1 (1,3,2)
45.78 1.9818 10.2 (1,4,0)
46.68 1.9460 60.0 (1,4,1)
47.55 1.9122 10.2 (1,3,3)
49.27 1.8494 29.4 (1,4,2)
53.39 1.7161 1.2 (1,5,0)
54.19 1.6927 1.2 (1,5,1)
56.53 1.6279 1.5 (1,5,2)
56.55 1.6274 17.6 (0,6,2)
57.32 1.6074 7.2 (0,5,4)
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Energy Properties

Formation Energy/atom
-0.18156
eV/atom
Energy/atom
-3.59095
eV/atom
Energy above Hull
0.0047
eV/atom
Uncorrected Energy
-18.5260
eV/atom
Volume/atom
23.51
ų
c/a Ratio
3.3125

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
41.724
GPa
GVRH
18.289
GPa
Young's Modulus E
47.872
GPa
Poisson Ratio ν
0.309
Pugh Ratio K/G
2.281
Vickers Hardness Est.
1.172
GPa
Ductility
Brittle
Anisotropy
0.632
Lame λ
29.531
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.884
Family
Binary Alloy
Matrix Element
Sn · 0.714

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6320
Homogeneous Poisson ν
0.3090
Debye Temperature
200.7
K
Sound Velocity
1,931.7
m/s
Homogeneity
0.3090

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7924
Reference Citation

The crystal structure and related material properties of Li2Sn5 were obtained from the Materials Project database (MP-ID: mp-7924, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Li2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10717593
_cell_length_b   10.29241894
_cell_length_c   10.29241894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Sn5
_chemical_formula_sum   'Li4 Sn10'
_cell_volume   329.15522584
_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  0.50000000  0.82383493  0.32383493  1.0
  Li  Li1  1  0.50000000  0.67616507  0.82383493  1.0
  Li  Li2  1  0.50000000  0.32383493  0.17616507  1.0
  Li  Li3  1  0.50000000  0.17616507  0.67616507  1.0
  Sn  Sn4  1  0.00000000  0.79374034  0.07198259  1.0
  Sn  Sn5  1  -0.00000000  0.20625966  0.92801741  1.0
  Sn  Sn6  1  -0.00000000  0.92801741  0.79374034  1.0
  Sn  Sn7  1  0.00000000  0.07198259  0.20625966  1.0
  Sn  Sn8  1  -0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn9  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn10  1  0.00000000  0.70625966  0.57198259  1.0
  Sn  Sn11  1  0.00000000  0.42801741  0.70625966  1.0
  Sn  Sn12  1  -0.00000000  0.57198259  0.29374034  1.0
  Sn  Sn13  1  -0.00000000  0.29374034  0.42801741  1.0
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