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Na2GeO3

Elasticity Data ELA

MP-ID: mp-5784 · Space group: Cmc2_1 (#36)

Basic Information

Formula
Na2GeO3
MP-ID
mp-5784
Elements
3
Sites
12
Density
3.3795
g/cm³
Volume
163.74
ų
Cell a
4.8638
Å
Cell b
6.2067
Å
Cell c
6.2489
Å
α Angle
119.78
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmc2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic 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
16.34 5.4239 77.2 (0,0,1)
16.45 5.3872 20.8 (0,1,-1)
16.45 5.3872 20.8 (0,1,0)
24.66 3.6101 100.0 (1,1,-1)
28.57 3.1244 76.5 (0,1,-2)
28.77 3.1034 34.6 (0,2,-1)
33.03 2.7119 4.7 (0,0,2)
33.26 2.6936 2.0 (0,2,-2)
34.11 2.6287 68.4 (1,1,-2)
34.28 2.6162 40.9 (1,2,-1)
36.96 2.4319 60.1 (2,0,0)
38.19 2.3564 14.6 (1,2,-2)
40.66 2.2191 9.1 (2,0,1)
40.71 2.2165 3.7 (2,1,-1)
44.22 2.0480 2.5 (0,1,-3)
44.22 2.0480 2.5 (0,1,2)
44.59 2.0323 5.4 (0,3,-2)
47.37 1.9191 25.0 (2,1,-2)
47.50 1.9142 14.6 (2,2,-1)
48.21 1.8875 4.8 (1,1,-3)
48.34 1.8829 6.4 (1,2,-3)
48.34 1.8829 6.4 (1,2,1)
48.55 1.8752 1.5 (1,3,-2)
48.55 1.8752 1.5 (1,3,-1)
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Energy Properties

Formation Energy/atom
-2.13298
eV/atom
Energy/atom
-5.82471
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.4547
eV/atom
Volume/atom
13.64
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.985
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
53.912
GPa
GVRH
28.066
GPa
Young's Modulus E
71.748
GPa
Poisson Ratio ν
0.278
Pugh Ratio K/G
1.921
Vickers Hardness Est.
3.554
GPa
Ductility
Brittle
Anisotropy
0.478
Lame λ
35.201
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4780
Homogeneous Poisson ν
0.2780
Debye Temperature
447.8
K
Sound Velocity
3,210.2
m/s
Homogeneity
0.2780

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-5784
Reference Citation

The crystal structure and related material properties of Na2GeO3 were obtained from the Materials Project database (MP-ID: mp-5784, database version v2026.09.28).

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_Na2GeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86383585
_cell_length_b   6.20670410
_cell_length_c   6.24892531
_cell_angle_alpha   119.77675935
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GeO3
_chemical_formula_sum   'Na4 Ge2 O6'
_cell_volume   163.73762326
_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
  Na  Na0  1  0.49676252  0.50642964  0.33572240  1.0
  Na  Na1  1  0.49676252  0.17070624  0.66427760  1.0
  Na  Na2  1  -0.00323748  0.49357036  0.66427760  1.0
  Na  Na3  1  -0.00323748  0.82929376  0.33572240  1.0
  Ge  Ge4  1  0.53646327  0.83485503  -0.00000000  1.0
  Ge  Ge5  1  0.03646327  0.16514497  0.00000000  1.0
  O  O6  1  0.40384934  0.10642465  -0.00000000  1.0
  O  O7  1  0.90384934  0.89357535  0.00000000  1.0
  O  O8  1  0.47538168  0.56582504  0.72563699  1.0
  O  O9  1  0.97538168  0.43417496  0.27436301  1.0
  O  O10  1  0.47538168  0.84018705  0.27436301  1.0
  O  O11  1  0.97538168  0.15981295  0.72563699  1.0
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