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SrSnO3

Elasticity Data ELA

MP-ID: mp-12867 · Space group: I4/mcm (#140)

Basic Information

Formula
SrSnO3
MP-ID
mp-12867
Elements
3
Sites
10
Density
6.3550
g/cm³
Volume
132.91
ų
Cell a
5.7559
Å
Cell b
5.7559
Å
Cell c
5.7559
Å
α Angle
120.92
°
β Angle
120.92
°
γ Angle
88.42
°
Space Group
I4/mcm
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
21.54 4.1259 8.1 (1,1,-1)
22.15 4.0134 6.5 (1,-1,0)
22.15 4.0134 6.5 (0,0,1)
31.09 2.8768 92.5 (2,0,-1)
31.09 2.8768 46.2 (1,1,-2)
31.09 2.8768 46.2 (1,1,0)
31.53 2.8379 100.0 (1,-1,1)
43.89 2.0629 33.1 (2,2,-2)
45.19 2.0067 27.6 (2,-2,0)
45.19 2.0067 27.6 (0,0,2)
49.69 1.8348 1.6 (2,2,-3)
50.58 1.8046 1.0 (3,-1,-1)
50.87 1.7948 2.2 (2,-2,1)
50.87 1.7948 2.2 (1,-1,2)
55.03 1.6686 21.3 (3,1,-3)
55.03 1.6686 21.3 (3,1,-1)
55.86 1.6458 20.7 (3,-1,-2)
55.86 1.6458 20.7 (3,-1,0)
55.86 1.6458 10.4 (2,0,-3)
55.86 1.6458 10.4 (0,2,-3)
55.86 1.6458 20.7 (2,0,1)
64.82 1.4384 18.2 (4,0,-2)
64.82 1.4384 9.1 (2,2,-4)
64.82 1.4384 9.1 (2,2,0)
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Energy Properties

Formation Energy/atom
-2.63065
eV/atom
Energy/atom
-6.73983
eV/atom
Energy above Hull
0.0067
eV/atom
Uncorrected Energy
-14.0407
eV/atom
Volume/atom
13.29
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
1.561
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
138.388
GPa
GVRH
83.126
GPa
Young's Modulus E
207.776
GPa
Poisson Ratio ν
0.250
Pugh Ratio K/G
1.665
Vickers Hardness Est.
11.625
GPa
Ductility
Ductile
Anisotropy
0.072
Lame λ
82.971
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0720
Homogeneous Poisson ν
0.2500
Debye Temperature
650.4
K
Sound Velocity
4,015.1
m/s
Homogeneity
0.2500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-12867
Reference Citation

The crystal structure and related material properties of SrSnO3 were obtained from the Materials Project database (MP-ID: mp-12867, 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_SrSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75585768
_cell_length_b   5.75585737
_cell_length_c   5.75585461
_cell_angle_alpha   120.91879939
_cell_angle_beta   120.91880339
_cell_angle_gamma   88.41596687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSnO3
_chemical_formula_sum   'Sr2 Sn2 O6'
_cell_volume   132.91090821
_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
  Sr  Sr0  1  0.74999782  0.24999780  0.49999980  1.0
  Sr  Sr1  1  0.25000222  0.75000227  0.49999986  1.0
  Sn  Sn2  1  -0.00000001  0.00000004  0.00000006  1.0
  Sn  Sn3  1  0.49999995  0.50000004  0.00000003  1.0
  O  O4  1  0.30315858  0.80315858  0.10631835  1.0
  O  O5  1  0.80315736  0.69684240  0.49999994  1.0
  O  O6  1  0.19684258  0.30315751  0.50000001  1.0
  O  O7  1  0.69684129  0.19684131  0.89368162  1.0
  O  O8  1  0.25000037  0.24999974  0.00000012  1.0
  O  O9  1  0.74999984  0.75000033  0.00000022  1.0
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