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K2Sn2O3

Elasticity Data ELA

MP-ID: mp-7502 · Space group: R-3m (#166)

Basic Information

Formula
K2Sn2O3
MP-ID
mp-7502
Elements
3
Sites
7
Density
4.0672
g/cm³
Volume
148.45
ų
Cell a
5.8721
Å
Cell b
5.8721
Å
Cell c
5.8721
Å
α Angle
61.64
°
β Angle
61.64
°
γ Angle
61.64
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
18.13 4.8923 2.1 (0,1,0)
18.13 4.8923 1.1 (1,0,0)
18.74 4.7342 8.9 (1,1,1)
21.15 4.2013 72.9 (1,1,0)
29.69 3.0087 100.0 (1,0,-1)
30.46 2.9343 30.3 (1,2,1)
30.46 2.9343 60.5 (2,1,1)
35.01 2.5629 1.0 (1,1,-1)
36.01 2.4941 3.6 (2,2,1)
36.74 2.4462 2.5 (0,2,0)
36.74 2.4462 2.5 (0,0,2)
36.74 2.4462 2.5 (2,0,0)
38.01 2.3671 2.0 (2,2,2)
43.06 2.1007 51.1 (2,2,0)
47.93 1.8980 12.6 (2,-1,1)
47.93 1.8980 6.3 (2,1,-1)
48.96 1.8604 5.4 (2,3,1)
48.96 1.8604 10.7 (3,2,1)
52.69 1.7371 6.7 (1,-2,1)
52.69 1.7371 13.4 (2,-1,-1)
53.18 1.7224 12.7 (1,3,0)
53.18 1.7224 19.0 (3,0,1)
53.18 1.7224 6.3 (3,1,0)
54.61 1.6805 10.7 (3,3,2)
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Energy Properties

Formation Energy/atom
-1.73664
eV/atom
Energy/atom
-5.32604
eV/atom
Energy above Hull
0.0058
eV/atom
Uncorrected Energy
-12.9419
eV/atom
Volume/atom
21.21
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
1.221
eV
Direct Gap
Yes
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
23.584
GPa
GVRH
16.772
GPa
Young's Modulus E
40.674
GPa
Poisson Ratio ν
0.213
Pugh Ratio K/G
1.406
Vickers Hardness Est.
3.986
GPa
Ductility
Ductile
Anisotropy
1.758
Lame λ
12.403
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.429
Element Family
Metalloid-Nonmetal
Solute Fraction
0.571
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.7580
Homogeneous Poisson ν
0.2130
Debye Temperature
278.2
K
Sound Velocity
2,244.9
m/s
Homogeneity
0.2130

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7502
Reference Citation

The crystal structure and related material properties of K2Sn2O3 were obtained from the Materials Project database (MP-ID: mp-7502, 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_K2Sn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87213430
_cell_length_b   5.87213549
_cell_length_c   5.87213452
_cell_angle_alpha   61.64375596
_cell_angle_beta   61.64374503
_cell_angle_gamma   61.64375371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sn2O3
_chemical_formula_sum   'K2 Sn2 O3'
_cell_volume   148.45452751
_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
  K  K0  1  0.50000000  0.50000000  0.50000000  1.0
  K  K1  1  -0.00000000  0.00000000  -0.00000000  1.0
  Sn  Sn2  1  0.24228268  0.24228268  0.24228268  1.0
  Sn  Sn3  1  0.75771732  0.75771732  0.75771732  1.0
  O  O4  1  -0.00000000  0.50000000  -0.00000000  1.0
  O  O5  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O6  1  0.50000000  0.00000000  -0.00000000  1.0
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