SiO2

Elasticity Data ELA

MP-ID: mp-669426 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

SiO2

MP-ID

mp-669426

Elements

Sites

Density

2.3556

g/cm³

Volume

338.84

Å³

Cell a

4.8942

Cell b

8.5230

Cell c

8.6923

α Angle

110.85

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
21.19	4.1921	4.2	(1,0,1)
21.31	4.1699	14.9	(1,1,0)
21.88	4.0616	79.6	(0,0,2)
22.07	4.0270	100.0	(1,1,-1)
22.32	3.9825	68.6	(0,2,0)
25.77	3.4572	1.4	(1,1,1)
27.66	3.2253	13.6	(1,1,-2)
27.92	3.1952	39.9	(1,2,-1)
28.56	3.1255	15.8	(1,0,2)
30.87	2.8970	7.1	(0,1,-3)
31.16	2.8699	6.8	(1,2,-2)
31.51	2.8396	6.3	(0,3,-1)
33.55	2.6714	1.7	(1,1,2)
33.77	2.6542	4.5	(1,2,1)
36.03	2.4930	6.5	(1,1,-3)
36.59	2.4562	3.7	(1,3,-1)
36.73	2.4471	3.2	(2,0,0)
36.80	2.4422	13.7	(0,2,2)
37.65	2.3892	5.5	(1,2,-3)
38.42	2.3431	9.2	(2,0,1)
38.49	2.3392	7.5	(2,1,0)
41.26	2.1879	1.1	(2,1,1)
42.72	2.1167	2.3	(2,2,-1)
43.09	2.0993	3.3	(1,1,3)

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Energy Properties

Formation Energy/atom

-3.26570

eV/atom

Energy/atom

-8.37278

eV/atom

Energy above Hull

0.0071

eV/atom

Uncorrected Energy

-9.9371

eV/atom

Volume/atom

14.12

Å³

c/a Ratio

1.7760

Electronic Properties

Metallic

Non-metal

Band Gap

5.538

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

18.076

GPa

G_VRH

35.939

GPa

Young's Modulus E

64.843

GPa

Poisson Ratio ν

-0.098

Pugh Ratio K/G

0.503

Vickers Hardness Est.

33.328

GPa

Ductility

Ductile

Anisotropy

1.182

Lame λ

-5.883

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 A^U

1.1820

Homogeneous Poisson ν

-0.0980

Debye Temperature

667.5

Sound Velocity

4,206.5

m/s

Homogeneity

-0.0980

Related Tasks

Related computation task IDs (6)

aaacmwwa aaadnknk aaadrczj aaaemnww aaaeskdo aaafighh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-669426

Reference Citation

The crystal structure and related material properties of SiO2 were obtained from the Materials Project database (MP-ID: mp-669426, 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

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89419588
_cell_length_b   8.52299036
_cell_length_c   8.69225329
_cell_angle_alpha   110.84704363
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiO2
_chemical_formula_sum   'Si8 O16'
_cell_volume   338.84472466
_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  0.09211996  0.83427404  0.70993562  1.0
  Si  Si1  1  0.23594020  0.70844759  0.33510521  1.0
  Si  Si2  1  0.26405980  0.20844759  0.83510521  1.0
  Si  Si3  1  0.40788004  0.33427404  0.20993562  1.0
  Si  Si4  1  0.90788004  0.16572596  0.29006438  1.0
  Si  Si5  1  0.73594020  0.79155241  0.16489479  1.0
  Si  Si6  1  0.76405980  0.29155241  0.66489479  1.0
  Si  Si7  1  0.59211996  0.66572596  0.79006438  1.0
  O  O8  1  0.64171128  0.68723993  0.97938908  1.0
  O  O9  1  0.85828872  0.18723993  0.47938908  1.0
  O  O10  1  0.48143373  0.80947515  0.28794380  1.0
  O  O11  1  0.83808977  0.97504953  0.17605524  1.0
  O  O12  1  0.22314338  0.20483129  0.26313379  1.0
  O  O13  1  0.01856627  0.30947515  0.78794380  1.0
  O  O14  1  0.72314338  0.29516871  0.23686621  1.0
  O  O15  1  0.77685662  0.79516871  0.73686621  1.0
  O  O16  1  0.33808977  0.52495047  0.32394476  1.0
  O  O17  1  0.35828872  0.31276007  0.02061092  1.0
  O  O18  1  0.98143373  0.69052485  0.21205620  1.0
  O  O19  1  0.14171128  0.81276007  0.52061092  1.0
  O  O20  1  0.16191023  0.02495047  0.82394476  1.0
  O  O21  1  0.51856627  0.19052485  0.71205620  1.0
  O  O22  1  0.66191023  0.47504953  0.67605524  1.0
  O  O23  1  0.27685662  0.70483129  0.76313379  1.0

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