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SbO2

Elasticity Data ELA

MP-ID: mp-1400172 · Space group: Imma (#74)

Basic Information

Formula
SbO2
MP-ID
mp-1400172
Elements
2
Sites
12
Density
4.7677
g/cm³
Volume
214.21
ų
Cell a
6.7560
Å
Cell b
6.7560
Å
Cell c
6.7560
Å
α Angle
125.07
°
β Angle
116.25
°
γ Angle
89.04
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
15.45 5.7338 100.0 (1,0,0)
16.94 5.2329 61.4 (0,1,0)
30.32 2.9477 26.1 (1,0,1)
30.53 2.9285 10.7 (2,1,-1)
31.20 2.8669 30.3 (2,0,0)
31.33 2.8548 12.3 (1,2,-1)
32.71 2.7379 21.1 (0,1,1)
34.27 2.6164 21.8 (0,2,0)
37.33 2.4086 22.2 (2,2,-2)
38.35 2.3469 43.6 (0,0,2)
39.01 2.3090 4.8 (2,-1,1)
40.47 2.2290 11.5 (2,1,0)
42.35 2.1340 5.6 (1,2,0)
44.62 2.0308 4.1 (1,-2,-1)
47.58 1.9113 1.4 (3,0,0)
48.97 1.8603 6.2 (3,2,-2)
49.11 1.8552 11.6 (1,0,2)
49.51 1.8409 3.7 (2,3,-2)
51.21 1.7837 7.9 (2,-2,2)
51.80 1.7649 6.9 (0,1,2)
52.46 1.7443 2.5 (0,3,0)
54.34 1.6884 5.4 (2,-1,2)
54.60 1.6809 26.2 (2,2,0)
56.23 1.6359 4.9 (3,2,-1)
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Energy Properties

Formation Energy/atom
-1.56514
eV/atom
Energy/atom
-6.24012
eV/atom
Energy above Hull
0.2739
eV/atom
Uncorrected Energy
-5.7821
eV/atom
Volume/atom
17.85
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.530
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
68.540
GPa
GVRH
37.802
GPa
Young's Modulus E
95.795
GPa
Poisson Ratio ν
0.267
Pugh Ratio K/G
1.813
Vickers Hardness Est.
5.347
GPa
Ductility
Brittle
Anisotropy
0.982
Lame λ
43.339
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
0.9820
Homogeneous Poisson ν
0.2670
Debye Temperature
385.6
K
Sound Velocity
3,132.4
m/s
Homogeneity
0.2670

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1400172
Reference Citation

The crystal structure and related material properties of SbO2 were obtained from the Materials Project database (MP-ID: mp-1400172, 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   6.75595721
_cell_length_b   6.75595721
_cell_length_c   6.75595721
_cell_angle_alpha   125.06525179
_cell_angle_beta   116.25243279
_cell_angle_gamma   89.03533793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbO2
_chemical_formula_sum   'Sb4 O8'
_cell_volume   214.20824080
_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  0.00000000  0.00000000  0.50000000  1.0
  Sb  Sb1  1  0.00000000  0.50000000  0.00000000  1.0
  Sb  Sb2  1  0.50000000  0.50000000  0.00000000  1.0
  Sb  Sb3  1  0.00000000  0.50000000  0.50000000  1.0
  O  O4  1  0.81481000  0.25529100  0.55951900  1.0
  O  O5  1  0.80422900  0.74470900  0.05951900  1.0
  O  O6  1  0.79391500  0.31046800  0.01655200  1.0
  O  O7  1  0.19577100  0.25529100  0.94048100  1.0
  O  O8  1  0.79391500  0.77736300  0.48344800  1.0
  O  O9  1  0.20608500  0.22263700  0.51655200  1.0
  O  O10  1  0.20608500  0.68953200  0.98344800  1.0
  O  O11  1  0.18519000  0.74470900  0.44048100  1.0
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