Li13Sn5

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30769 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Li13Sn5

MP-ID

mp-30769

Elements

Sites

Density

3.5461

g/cm³

Volume

320.20

Å³

Cell a

4.6643

Cell b

4.6643

Cell c

16.9949

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
5.20	16.9949	2.2	(0,0,0,1)
10.41	8.4975	3.0	(0,0,0,2)
15.64	5.6650	4.8	(0,0,0,3)
20.91	4.2487	1.4	(0,0,0,4)
22.00	4.0394	7.7	(1,0,-1,0)
22.63	3.9299	50.0	(1,0,-1,1)
22.63	3.9299	100.0	(1,-1,0,1)
24.40	3.6482	50.8	(1,0,-1,2)
26.22	3.3990	32.9	(0,0,0,5)
27.11	3.2889	3.3	(1,0,-1,3)
27.11	3.2889	6.6	(1,-1,0,3)
30.54	2.9275	31.6	(1,0,-1,4)
31.59	2.8325	1.3	(0,0,0,6)
34.49	2.6008	4.9	(1,0,-1,5)
38.61	2.3321	41.5	(2,-1,-1,0)
38.61	2.3321	20.8	(1,-2,1,0)
38.83	2.3191	62.5	(1,0,-1,6)
41.89	2.1566	2.6	(2,-1,-1,3)
42.56	2.1244	3.5	(0,0,0,8)
43.49	2.0809	25.9	(1,0,-1,7)
45.21	2.0056	25.1	(2,0,-2,1)
46.20	1.9650	9.6	(2,0,-2,2)
47.27	1.9230	41.5	(2,-1,-1,5)
47.81	1.9024	2.2	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

-0.39301

eV/atom

Energy/atom

-2.88545

eV/atom

Energy above Hull

0.0034

eV/atom

Uncorrected Energy

-9.0561

eV/atom

Volume/atom

17.79

Å³

c/a Ratio

3.6436

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

29.762

GPa

G_VRH

24.659

GPa

Young's Modulus E

57.968

GPa

Poisson Ratio ν

0.175

Pugh Ratio K/G

1.207

Vickers Hardness Est.

7.466

GPa

Ductility

Ductile

Anisotropy

3.080

Lame λ

13.323

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.722

Element Family

N/A

Solute Fraction

0.278

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.720

Family

Binary Alloy

Matrix Element

Li · 0.722

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

3.0800

Homogeneous Poisson ν

0.1750

Debye Temperature

331.1

Sound Velocity

2,903.7

m/s

Homogeneity

0.1750

Related Tasks

Related computation task IDs (3)

aaacfpqs aaadqxxb aaaelkoi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30769

Reference Citation

The crystal structure and related material properties of Li13Sn5 were obtained from the Materials Project database (MP-ID: mp-30769, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Li13Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66428601
_cell_length_b   4.66428541
_cell_length_c   16.99489080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999712
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li13Sn5
_chemical_formula_sum   'Li13 Sn5'
_cell_volume   320.19851451
_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
  Li  Li0  1  0.00000000  0.00000000  0.50000000  1.0
  Li  Li1  1  0.00000000  0.00000000  0.67174425  1.0
  Li  Li2  1  -0.00000000  -0.00000000  0.32825575  1.0
  Li  Li3  1  0.00000000  0.00000000  0.83850659  1.0
  Li  Li4  1  -0.00000000  -0.00000000  0.16149341  1.0
  Li  Li5  1  0.33333300  0.66666700  0.94614560  1.0
  Li  Li6  1  0.66666700  0.33333300  0.05385440  1.0
  Li  Li7  1  0.33333300  0.66666700  0.44646731  1.0
  Li  Li8  1  0.66666700  0.33333300  0.55353269  1.0
  Li  Li9  1  0.33333300  0.66666700  0.28305811  1.0
  Li  Li10  1  0.66666700  0.33333300  0.71694189  1.0
  Li  Li11  1  0.33333300  0.66666700  0.11216906  1.0
  Li  Li12  1  0.66666700  0.33333300  0.88783094  1.0
  Sn  Sn13  1  0.00000000  0.00000000  -0.00000000  1.0
  Sn  Sn14  1  0.33333300  0.66666700  0.77780747  1.0
  Sn  Sn15  1  0.66666700  0.33333300  0.22219253  1.0
  Sn  Sn16  1  0.33333300  0.66666700  0.60901336  1.0
  Sn  Sn17  1  0.66666700  0.33333300  0.39098664  1.0

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