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Na2Si3O7

Elasticity Data ELA

MP-ID: mp-15113 · Space group: C2/c (#15)

Basic Information

Formula
Na2Si3O7
MP-ID
mp-15113
Elements
3
Sites
24
Density
3.1826
g/cm³
Volume
252.77
ų
Cell a
5.1291
Å
Cell b
5.1291
Å
Cell c
11.7050
Å
α Angle
79.27
°
β Angle
79.27
°
γ Angle
57.14
°
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
15.49 5.7196 30.0 (0,0,2)
20.17 4.4022 3.2 (1,1,0)
20.73 4.2853 1.9 (1,0,0)
21.38 4.1562 3.6 (1,0,1)
22.73 3.9123 23.7 (1,1,2)
22.90 3.8835 44.9 (1,0,-1)
27.26 3.2714 2.5 (1,0,-2)
28.08 3.1781 3.0 (1,1,-2)
31.28 2.8598 11.1 (0,0,4)
33.02 2.7130 93.7 (1,0,-3)
33.56 2.6707 39.1 (1,1,4)
35.06 2.5593 100.0 (2,1,1)
35.91 2.5008 2.3 (1,0,4)
36.27 2.4771 1.5 (2,1,2)
36.64 2.4528 16.8 (1,-1,0)
37.50 2.3982 2.0 (1,-1,1)
37.95 2.3707 2.7 (2,1,-1)
39.65 2.2729 44.5 (1,0,-4)
40.00 2.2542 1.6 (1,-1,2)
40.68 2.2178 4.7 (2,2,2)
41.00 2.2011 7.8 (2,2,0)
41.73 2.1643 2.1 (2,1,-2)
42.10 2.1465 14.5 (2,0,1)
42.18 2.1426 1.1 (2,0,0)
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Energy Properties

Formation Energy/atom
-2.90137
eV/atom
Energy/atom
-7.36763
eV/atom
Energy above Hull
0.0940
eV/atom
Uncorrected Energy
-6.9669
eV/atom
Volume/atom
10.53
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
4.689
eV
Direct Gap
Yes
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
101.485
GPa
GVRH
67.825
GPa
Young's Modulus E
166.404
GPa
Poisson Ratio ν
0.227
Pugh Ratio K/G
1.496
Vickers Hardness Est.
11.711
GPa
Ductility
Ductile
Anisotropy
0.925
Lame λ
56.268
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.583
Element Family
Metalloid-Nonmetal
Solute Fraction
0.417
Interstitial Fraction
0.250

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9250
Homogeneous Poisson ν
0.2270
Debye Temperature
853.5
K
Sound Velocity
5,111.4
m/s
Homogeneity
0.2270

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-15113
Reference Citation

The crystal structure and related material properties of Na2Si3O7 were obtained from the Materials Project database (MP-ID: mp-15113, 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_Na2Si3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12904577
_cell_length_b   5.12904577
_cell_length_c   11.70504039
_cell_angle_alpha   79.27226270
_cell_angle_beta   79.27226270
_cell_angle_gamma   57.13681412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Si3O7
_chemical_formula_sum   'Na4 Si6 O14'
_cell_volume   252.77181009
_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  0.14732800  0.56015500  0.68193300  1.0
  Na  Na1  1  0.43984500  0.85267200  0.81806700  1.0
  Na  Na2  1  0.85267200  0.43984500  0.31806700  1.0
  Na  Na3  1  0.56015500  0.14732800  0.18193300  1.0
  Si  Si4  1  0.00000000  0.50000000  0.00000000  1.0
  Si  Si5  1  0.50000000  0.00000000  0.50000000  1.0
  Si  Si6  1  0.82705100  0.25926300  0.61518200  1.0
  Si  Si7  1  0.74073700  0.17294900  0.88481800  1.0
  Si  Si8  1  0.17294900  0.74073700  0.38481800  1.0
  Si  Si9  1  0.25926300  0.82705100  0.11518200  1.0
  O  O10  1  0.64770400  0.35229600  0.75000000  1.0
  O  O11  1  0.35229600  0.64770400  0.25000000  1.0
  O  O12  1  0.99025300  0.25562400  0.91087000  1.0
  O  O13  1  0.74437600  0.00974700  0.58913000  1.0
  O  O14  1  0.00974700  0.74437600  0.08913000  1.0
  O  O15  1  0.25562400  0.99025300  0.41087000  1.0
  O  O16  1  0.68077300  0.58952100  0.53660000  1.0
  O  O17  1  0.41047900  0.31922700  0.96340000  1.0
  O  O18  1  0.31922700  0.41047900  0.46340000  1.0
  O  O19  1  0.58952100  0.68077300  0.03660000  1.0
  O  O20  1  0.07858300  0.20325200  0.12727300  1.0
  O  O21  1  0.79674800  0.92141700  0.37272700  1.0
  O  O22  1  0.92141700  0.79674800  0.87272700  1.0
  O  O23  1  0.20325200  0.07858300  0.62727300  1.0
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