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SbO2

Elasticity Data ELA

MP-ID: mp-1819 · Space group: C2/c (#15)

Basic Information

Formula
SbO2
MP-ID
mp-1819
Elements
2
Sites
12
Density
6.6456
g/cm³
Volume
153.68
ų
Cell a
4.8609
Å
Cell b
5.3976
Å
Cell c
6.5161
Å
α Angle
103.29
°
β Angle
111.90
°
γ Angle
90.00
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.77 4.4897 9.7 (1,0,-1)
27.38 3.2571 74.1 (1,-1,-1)
27.38 3.2571 74.1 (1,1,0)
29.34 3.0443 5.7 (1,0,-2)
30.52 2.9287 48.6 (0,0,2)
31.01 2.8843 100.0 (1,1,-2)
33.91 2.6438 33.0 (0,2,-1)
36.99 2.4305 21.1 (2,0,-1)
40.14 2.2464 1.6 (0,2,-2)
40.93 2.2051 2.0 (1,2,-2)
40.95 2.2040 3.7 (2,1,-1)
41.15 2.1939 21.7 (0,2,1)
45.46 1.9953 3.1 (2,-1,-2)
48.69 1.8703 15.0 (2,0,-3)
48.69 1.8703 15.0 (2,0,1)
49.07 1.8567 1.2 (2,1,-3)
50.09 1.8212 13.8 (1,-1,-3)
50.09 1.8212 13.8 (1,1,2)
50.19 1.8176 1.0 (1,-2,-2)
50.97 1.7916 14.9 (0,2,-3)
51.04 1.7893 29.3 (2,2,-2)
54.64 1.6796 25.5 (1,-3,0)
54.67 1.6789 1.7 (2,-1,-3)
56.51 1.6285 19.0 (2,-2,-2)
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Energy Properties

Formation Energy/atom
-1.83901
eV/atom
Energy/atom
-6.51398
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.1001
eV/atom
Volume/atom
12.81
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.027
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
82.545
GPa
GVRH
56.104
GPa
Young's Modulus E
137.223
GPa
Poisson Ratio ν
0.223
Pugh Ratio K/G
1.471
Vickers Hardness Est.
10.427
GPa
Ductility
Ductile
Anisotropy
2.591
Lame λ
45.142
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.5910
Homogeneous Poisson ν
0.2230
Debye Temperature
442.2
K
Sound Velocity
3,215.8
m/s
Homogeneity
0.2230

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1819
Reference Citation

The crystal structure and related material properties of SbO2 were obtained from the Materials Project database (MP-ID: mp-1819, 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_SbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86089249
_cell_length_b   5.39755735
_cell_length_c   6.51607502
_cell_angle_alpha   103.28795669
_cell_angle_beta   111.90028886
_cell_angle_gamma   89.99999967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbO2
_chemical_formula_sum   'Sb4 O8'
_cell_volume   153.68018972
_cell_formula_units_Z   4
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
  Sb  Sb0  1  0.71409427  0.25000000  -0.00000000  1.0
  Sb  Sb1  1  0.28590573  0.75000000  0.00000000  1.0
  Sb  Sb2  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  0.50000000  1.0
  O  O4  1  0.49330921  0.53303383  0.81246310  1.0
  O  O5  1  0.68084711  0.96696617  0.18753690  1.0
  O  O6  1  0.50669079  0.46696617  0.18753690  1.0
  O  O7  1  0.31915289  0.03303383  0.81246310  1.0
  O  O8  1  0.86121926  0.32529537  0.61667631  1.0
  O  O9  1  0.24454295  0.17470463  0.38332369  1.0
  O  O10  1  0.13878074  0.67470463  0.38332369  1.0
  O  O11  1  0.75545705  0.82529537  0.61667631  1.0
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