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Na3Sn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-864742 · Space group: I4/mmm (#139)

Basic Information

Formula
Na3Sn
MP-ID
mp-864742
Elements
2
Sites
4
Density
2.8337
g/cm³
Volume
109.98
ų
Cell a
5.7760
Å
Cell b
5.7760
Å
Cell c
5.7760
Å
α Angle
130.13
°
β Angle
130.13
°
γ Angle
73.19
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.14 4.6373 21.8 (1,1,-1)
20.60 4.3117 73.6 (1,0,0)
25.87 3.4436 21.4 (0,0,1)
32.38 2.7647 100.0 (1,1,0)
34.36 2.6100 21.0 (2,1,-1)
36.91 2.4350 35.1 (1,-1,1)
38.84 2.3186 15.2 (2,2,-2)
41.91 2.1559 12.4 (2,0,0)
42.64 2.1203 23.7 (1,0,1)
47.26 1.9233 8.9 (2,2,-1)
51.31 1.7805 14.2 (2,1,0)
52.81 1.7334 6.6 (3,2,-2)
53.20 1.7218 12.1 (0,0,2)
54.66 1.6792 22.2 (3,1,-1)
57.06 1.6141 5.3 (1,1,1)
57.65 1.5990 5.1 (2,-1,1)
59.83 1.5458 1.2 (3,3,-3)
60.08 1.5400 4.6 (1,-1,2)
63.67 1.4615 27.7 (2,0,1)
64.88 1.4372 3.7 (3,0,0)
66.18 1.4122 7.0 (3,2,-1)
66.28 1.4102 12.2 (3,3,-2)
67.79 1.3823 11.4 (2,2,0)
70.45 1.3366 6.0 (1,0,2)
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Energy Properties

Formation Energy/atom
-0.18876
eV/atom
Energy/atom
-9.04845
eV/atom
Energy above Hull
0.0381
eV/atom
Uncorrected Energy
-9.0484
eV/atom
Volume/atom
27.50
ų
c/a Ratio
1.0000

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
17.492
GPa
GVRH
5.722
GPa
Young's Modulus E
15.478
GPa
Poisson Ratio ν
0.353
Pugh Ratio K/G
3.057
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
35.086
Lame λ
13.677
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.696
Family
Binary Alloy
Matrix Element
Na · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
35.0860
Homogeneous Poisson ν
0.3530
Debye Temperature
157.6
K
Sound Velocity
1,598.2
m/s
Homogeneity
0.3530

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-864742
Reference Citation

The crystal structure and related material properties of Na3Sn were obtained from the Materials Project database (MP-ID: mp-864742, 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_Na3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77603309
_cell_length_b   5.77603309
_cell_length_c   5.77603309
_cell_angle_alpha   130.13268031
_cell_angle_beta   130.13268031
_cell_angle_gamma   73.19474248
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Sn
_chemical_formula_sum   'Na3 Sn1'
_cell_volume   109.98086925
_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
  Na  Na0  1  0.75000000  0.25000000  0.50000000  1.0
  Na  Na1  1  0.25000000  0.75000000  0.50000000  1.0
  Na  Na2  1  0.50000000  0.50000000  -0.00000000  1.0
  Sn  Sn3  1  -0.00000000  -0.00000000  -0.00000000  1.0
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