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SiSnO3

Elasticity Data ELA

MP-ID: mp-978493 · Space group: Pm-3m (#221)

Basic Information

Formula
SiSnO3
MP-ID
mp-978493
Elements
3
Sites
5
Density
6.3230
g/cm³
Volume
51.16
ų
Cell a
3.7122
Å
Cell b
3.7122
Å
Cell c
3.7122
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 10)
2θd (Å)Ihkl
23.97 3.7122 36.4 (1,0,0)
34.16 2.6249 100.0 (1,1,0)
42.16 2.1433 41.7 (1,1,1)
49.08 1.8561 38.3 (2,0,0)
55.34 1.6602 19.1 (2,1,0)
61.15 1.5155 40.4 (2,1,1)
71.94 1.3125 23.3 (2,2,0)
77.07 1.2374 10.2 (3,0,0)
82.10 1.1739 19.1 (3,1,0)
87.07 1.1193 14.3 (3,1,1)
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Energy Properties

Formation Energy/atom
-2.12593
eV/atom
Energy/atom
-6.98169
eV/atom
Energy above Hull
0.4897
eV/atom
Uncorrected Energy
-6.5695
eV/atom
Volume/atom
10.23
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.759
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0002
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
203.420
GPa
GVRH
116.859
GPa
Young's Modulus E
294.234
GPa
Poisson Ratio ν
0.259
Pugh Ratio K/G
1.741
Vickers Hardness Est.
13.942
GPa
Ductility
Ductile
Anisotropy
2.183
Lame λ
125.514
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
0.200

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.1830
Homogeneous Poisson ν
0.2590
Debye Temperature
719.8
K
Sound Velocity
4,777.8
m/s
Homogeneity
0.2590

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-978493
Reference Citation

The crystal structure and related material properties of SiSnO3 were obtained from the Materials Project database (MP-ID: mp-978493, 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_SiSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71221900
_cell_length_b   3.71221900
_cell_length_c   3.71221900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnO3
_chemical_formula_sum   'Si1 Sn1 O3'
_cell_volume   51.15649343
_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
  Si  Si0  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn1  1  0.00000000  0.00000000  0.00000000  1.0
  O  O2  1  0.50000000  0.50000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.50000000  0.50000000  1.0
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