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Sb2O5

Elasticity Data ELA

MP-ID: mp-1705 · Space group: C2/c (#15)

Basic Information

Formula
Sb2O5
MP-ID
mp-1705
Elements
2
Sites
14
Density
6.6767
g/cm³
Volume
160.92
ų
Cell a
4.7957
Å
Cell b
5.4474
Å
Cell c
6.7822
Å
α Angle
102.93
°
β Angle
110.70
°
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
14.38 6.1600 8.7 (0,0,1)
24.94 3.5698 100.0 (1,1,-1)
27.22 3.2763 31.1 (1,1,0)
28.99 3.0800 49.3 (0,0,2)
30.51 2.9299 56.4 (1,1,-2)
33.53 2.6730 2.4 (0,2,-1)
33.90 2.6446 28.7 (0,2,0)
35.99 2.4957 36.9 (1,-1,-2)
37.51 2.3978 18.6 (2,0,-1)
39.23 2.2963 11.2 (0,2,-2)
40.20 2.2433 5.2 (0,2,1)
40.36 2.2345 1.1 (2,0,-2)
41.09 2.1968 5.7 (1,1,-3)
41.09 2.1968 5.7 (1,-1,2)
41.14 2.1940 3.0 (1,2,0)
41.19 2.1916 3.9 (1,0,-3)
42.53 2.1256 1.4 (2,1,-2)
42.53 2.1256 1.4 (2,-1,0)
44.10 2.0533 3.8 (0,0,3)
48.09 1.8921 12.2 (2,0,-3)
48.09 1.8921 12.2 (2,0,1)
50.59 1.8044 6.9 (0,2,2)
51.44 1.7764 9.7 (2,2,-1)
51.44 1.7764 9.7 (2,-2,-1)
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Energy Properties

Formation Energy/atom
-1.74803
eV/atom
Energy/atom
-6.46201
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.0712
eV/atom
Volume/atom
11.49
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.490
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
125.537
GPa
GVRH
75.478
GPa
Young's Modulus E
188.630
GPa
Poisson Ratio ν
0.250
Pugh Ratio K/G
1.663
Vickers Hardness Est.
10.837
GPa
Ductility
Ductile
Anisotropy
0.827
Lame λ
75.218
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.714
Element Family
Metalloid-Nonmetal
Solute Fraction
0.286
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.8270
Homogeneous Poisson ν
0.2500
Debye Temperature
541.2
K
Sound Velocity
3,732.5
m/s
Homogeneity
0.2500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1705
Reference Citation

The crystal structure and related material properties of Sb2O5 were obtained from the Materials Project database (MP-ID: mp-1705, 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_Sb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79566051
_cell_length_b   5.44739853
_cell_length_c   6.78223719
_cell_angle_alpha   102.93308048
_cell_angle_beta   110.70434303
_cell_angle_gamma   89.99999126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2O5
_chemical_formula_sum   'Sb4 O10'
_cell_volume   160.92172837
_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
  Sb  Sb0  1  0.62049034  0.21993211  0.72392107  1.0
  Sb  Sb1  1  0.89656927  0.28006789  0.27607893  1.0
  Sb  Sb2  1  0.37951066  0.78006789  0.27607893  1.0
  Sb  Sb3  1  0.10343073  0.71993211  0.72392107  1.0
  O  O4  1  0.57837323  0.25000000  0.00000000  1.0
  O  O5  1  0.42162677  0.75000000  -0.00000000  1.0
  O  O6  1  0.18833446  0.44940541  0.20509376  1.0
  O  O7  1  0.98324070  0.05059459  0.79490624  1.0
  O  O8  1  0.78235593  0.62383948  0.40569304  1.0
  O  O9  1  0.37666289  0.87616052  0.59430696  1.0
  O  O10  1  0.21764407  0.37616052  0.59430696  1.0
  O  O11  1  0.62333711  0.12383948  0.40569304  1.0
  O  O12  1  0.01675930  0.94940541  0.20509376  1.0
  O  O13  1  0.81166554  0.55059459  0.79490624  1.0
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