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GeO2

Elasticity Data ELA

MP-ID: mp-223 · Space group: P3_221 (#154)

Basic Information

Formula
GeO2
MP-ID
mp-223
Elements
2
Sites
9
Density
4.2864
g/cm³
Volume
121.61
ų
Cell a
4.9763
Å
Cell b
4.9763
Å
Cell c
5.6709
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.01
°
Space Group
P3_221
Point Group
32
Crystal System
Trigonal
Bravais Lattice
Trigonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.61 4.3097 23.2 (1,-1,0,0)
20.61 4.3094 23.2 (0,1,-1,0)
20.61 4.3094 23.2 (1,0,-1,0)
25.97 3.4313 25.8 (1,-1,0,-1)
25.97 3.4312 100.0 (1,-1,0,1)
25.97 3.4312 100.0 (0,1,-1,1)
25.97 3.4311 100.0 (1,0,-1,-1)
25.97 3.4311 25.7 (1,0,-1,1)
25.97 3.4311 25.7 (0,1,-1,-1)
36.10 2.4882 13.4 (1,-2,1,0)
36.10 2.4882 13.4 (2,-1,-1,0)
36.10 2.4880 13.4 (1,1,-2,0)
37.99 2.3688 26.7 (1,-1,0,-2)
37.99 2.3687 26.7 (1,0,-1,2)
37.99 2.3687 26.7 (0,1,-1,-2)
39.55 2.2785 8.2 (1,-2,1,-1)
39.55 2.2785 8.2 (2,-1,-1,-1)
39.55 2.2785 8.2 (1,-2,1,1)
39.55 2.2785 8.2 (2,-1,-1,1)
39.56 2.2783 8.2 (1,1,-2,1)
39.56 2.2783 8.2 (1,1,-2,-1)
41.93 2.1549 22.2 (2,-2,0,0)
41.93 2.1547 22.2 (0,2,-2,0)
41.93 2.1547 22.2 (2,0,-2,0)
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Energy Properties

Formation Energy/atom
-2.07668
eV/atom
Energy/atom
-6.91633
eV/atom
Energy above Hull
0.0800
eV/atom
Uncorrected Energy
-10.3681
eV/atom
Volume/atom
13.51
ų
c/a Ratio
1.1396

Electronic Properties

Metallic
Non-metal
Band Gap
3.263
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
32.439
GPa
GVRH
27.681
GPa
Young's Modulus E
64.653
GPa
Poisson Ratio ν
0.168
Pugh Ratio K/G
1.172
Vickers Hardness Est.
8.591
GPa
Ductility
Ductile
Anisotropy
0.569
Lame λ
13.985
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
0.5690
Homogeneous Poisson ν
0.1680
Debye Temperature
394.6
K
Sound Velocity
2,796.1
m/s
Homogeneity
0.1680

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-223
Reference Citation

The crystal structure and related material properties of GeO2 were obtained from the Materials Project database (MP-ID: mp-223, 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_GeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97629482
_cell_length_b   4.97631625
_cell_length_c   5.67088407
_cell_angle_alpha   89.99811106
_cell_angle_beta   90.00152847
_cell_angle_gamma   120.00518957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeO2
_chemical_formula_sum   'Ge3 O6'
_cell_volume   121.61097280
_cell_formula_units_Z   3
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
  Ge  Ge0  1  0.55152125  0.55151624  -0.00000098  1.0
  Ge  Ge1  1  -0.00001407  0.44855260  0.33336173  1.0
  Ge  Ge2  1  0.44853414  -0.00001888  0.66663905  1.0
  O  O3  1  0.30592102  0.39508764  0.24468078  1.0
  O  O4  1  0.60504109  0.91094918  0.91135895  1.0
  O  O5  1  0.08901913  0.69393549  0.57816415  1.0
  O  O6  1  0.39508927  0.30591714  0.75531979  1.0
  O  O7  1  0.69393036  0.08901521  0.42184167  1.0
  O  O8  1  0.91095781  0.60504539  0.08863585  1.0
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