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SiO2

Elasticity Data ELA

MP-ID: mp-11684 · Space group: C2/c (#15)

Basic Information

Formula
SiO2
MP-ID
mp-11684
Elements
2
Sites
24
Density
2.9059
g/cm³
Volume
274.68
ų
Cell a
7.1331
Å
Cell b
7.1363
Å
Cell c
7.1510
Å
α Angle
60.07
°
β Angle
75.79
°
γ Angle
60.54
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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 24)
2θd (Å)Ihkl
14.29 6.1972 5.9 (0,0,1)
20.24 4.3869 5.0 (1,0,1)
25.79 3.4540 6.3 (1,-1,0)
25.90 3.4404 6.7 (0,1,-1)
25.90 3.4404 6.7 (0,1,2)
25.97 3.4315 19.4 (1,1,-1)
25.97 3.4315 19.4 (1,1,2)
26.00 3.4274 34.9 (2,1,0)
26.00 3.4274 34.9 (2,1,1)
28.73 3.1068 98.2 (0,2,1)
28.75 3.1054 84.5 (2,0,0)
28.81 3.0986 100.0 (0,0,2)
28.87 3.0921 83.7 (1,2,0)
28.98 3.0810 16.9 (2,2,1)
32.24 2.7764 3.9 (2,0,-1)
32.24 2.7764 3.9 (2,0,1)
32.29 2.7727 6.2 (1,0,2)
32.45 2.7588 13.8 (2,2,0)
33.02 2.7127 9.5 (1,-1,1)
33.18 2.6997 30.5 (2,1,-1)
38.48 2.3395 4.7 (1,2,-1)
38.48 2.3395 4.7 (1,2,3)
38.96 2.3120 2.0 (2,-1,0)
38.96 2.3120 2.0 (2,-1,-1)
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Energy Properties

Formation Energy/atom
-3.25911
eV/atom
Energy/atom
-8.36619
eV/atom
Energy above Hull
0.0137
eV/atom
Uncorrected Energy
-9.9305
eV/atom
Volume/atom
11.44
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
5.546
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
110.695
GPa
GVRH
59.798
GPa
Young's Modulus E
152.020
GPa
Poisson Ratio ν
0.271
Pugh Ratio K/G
1.851
Vickers Hardness Est.
7.653
GPa
Ductility
Brittle
Anisotropy
0.761
Lame λ
70.830
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
0.333

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7610
Homogeneous Poisson ν
0.2710
Debye Temperature
859.2
K
Sound Velocity
5,048.8
m/s
Homogeneity
0.2710

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11684
Reference Citation

The crystal structure and related material properties of SiO2 were obtained from the Materials Project database (MP-ID: mp-11684, 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_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13312616
_cell_length_b   7.13633683
_cell_length_c   7.15097335
_cell_angle_alpha   60.06770041
_cell_angle_beta   75.79472258
_cell_angle_gamma   60.54102574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si8 O16'
_cell_volume   274.67521532
_cell_formula_units_Z   8
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  0.04113418  0.62343998  0.68413589  1.0
  Si  Si1  1  0.45886582  0.19242414  0.68413589  1.0
  Si  Si2  1  0.95886582  0.37656002  0.31586411  1.0
  Si  Si3  1  0.54113418  0.80757586  0.31586411  1.0
  Si  Si4  1  0.57252769  0.67583253  0.78291734  1.0
  Si  Si5  1  0.92747231  0.04125013  0.78291734  1.0
  Si  Si6  1  0.42747231  0.32416747  0.21708266  1.0
  Si  Si7  1  0.07252769  0.95874987  0.21708266  1.0
  O  O8  1  0.97653744  0.25392951  0.57648938  1.0
  O  O9  1  0.52346256  0.66958212  0.57648938  1.0
  O  O10  1  0.02346256  0.74607049  0.42351062  1.0
  O  O11  1  0.47653744  0.33041788  0.42351062  1.0
  O  O12  1  0.82783722  0.58738932  0.79263279  1.0
  O  O13  1  0.67216278  0.11997689  0.79263279  1.0
  O  O14  1  0.17216278  0.41261068  0.20736721  1.0
  O  O15  1  0.32783722  0.88002311  0.20736721  1.0
  O  O16  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O17  1  0.50000000  0.50000000  0.00000000  1.0
  O  O18  1  0.75000000  0.63453882  0.23092236  1.0
  O  O19  1  0.25000000  0.36546118  0.76907764  1.0
  O  O20  1  0.93993768  0.20100269  0.24886339  1.0
  O  O21  1  0.56006232  0.05013392  0.24886339  1.0
  O  O22  1  0.06006232  0.79899731  0.75113661  1.0
  O  O23  1  0.43993768  0.94986608  0.75113661  1.0
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