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Zn2SiO5

Elasticity Data ELA

MP-ID: mp-1105595 · Space group: Imm2 (#44)

Basic Information

Formula
Zn2SiO5
MP-ID
mp-1105595
Elements
3
Sites
16
Density
3.5161
g/cm³
Volume
225.65
ų
Cell a
7.3350
Å
Cell b
7.3350
Å
Cell c
7.3350
Å
α Angle
138.97
°
β Angle
116.42
°
γ Angle
78.50
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
13.86 6.3896 50.5 (0,1,-1)
15.60 5.6803 37.0 (1,1,-1)
18.95 4.6835 78.5 (1,0,-1)
20.75 4.2801 16.8 (1,-1,0)
23.02 3.8639 48.1 (1,-1,1)
26.07 3.4183 5.7 (2,0,-1)
26.21 3.4005 54.0 (1,2,-2)
27.93 3.1948 30.4 (0,2,-2)
29.29 3.0489 43.4 (2,1,-2)
29.98 2.9805 99.0 (2,-1,0)
31.50 2.8402 24.3 (2,2,-2)
34.91 2.5703 55.2 (1,-1,-1)
37.58 2.3935 100.0 (3,0,-1)
37.72 2.3846 3.6 (2,-1,-1)
38.02 2.3665 5.7 (3,1,-2)
38.44 2.3417 5.1 (2,0,-2)
39.11 2.3030 10.0 (2,-2,1)
39.37 2.2884 9.7 (1,3,-3)
42.23 2.1401 33.4 (2,-2,0)
42.35 2.1342 4.8 (1,-3,2)
42.44 2.1299 8.4 (0,3,-3)
43.55 2.0782 2.0 (3,2,-3)
44.17 2.0505 6.2 (3,0,-2)
45.28 2.0026 6.3 (3,-1,-1)
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Energy Properties

Formation Energy/atom
-1.71358
eV/atom
Energy/atom
-5.79916
eV/atom
Energy above Hull
0.4277
eV/atom
Uncorrected Energy
-5.7992
eV/atom
Volume/atom
14.10
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.210
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0013
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
89.508
GPa
GVRH
31.475
GPa
Young's Modulus E
84.518
GPa
Poisson Ratio ν
0.343
Pugh Ratio K/G
2.844
Vickers Hardness Est.
1.429
GPa
Ductility
Brittle
Anisotropy
0.682
Lame λ
68.525
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.625
Element Family
Metalloid-Nonmetal
Solute Fraction
0.375
Interstitial Fraction
0.125

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6820
Homogeneous Poisson ν
0.3430
Debye Temperature
474.3
K
Sound Velocity
3,360.6
m/s
Homogeneity
0.3430

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1105595
Reference Citation

The crystal structure and related material properties of Zn2SiO5 were obtained from the Materials Project database (MP-ID: mp-1105595, 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_Zn2SiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33497647
_cell_length_b   7.33497647
_cell_length_c   7.33497647
_cell_angle_alpha   138.97419505
_cell_angle_beta   116.42463666
_cell_angle_gamma   78.49611886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiO5
_chemical_formula_sum   'Zn4 Si2 O10'
_cell_volume   225.65228720
_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
  Zn  Zn0  1  0.88120400  0.63601300  0.20618400  1.0
  Zn  Zn1  1  0.11879600  0.32498000  0.75480900  1.0
  Zn  Zn2  1  0.42982900  0.63601300  0.75480900  1.0
  Zn  Zn3  1  0.57017100  0.32498000  0.20618400  1.0
  Si  Si4  1  0.63605100  0.10809700  0.47204600  1.0
  Si  Si5  1  0.36394900  0.83599500  0.47204600  1.0
  O  O6  1  0.87174800  0.04637900  0.52438000  1.0
  O  O7  1  0.12825200  0.65263200  0.17463100  1.0
  O  O8  1  0.52199900  0.04637900  0.17463100  1.0
  O  O9  1  0.47800100  0.65263200  0.52438000  1.0
  O  O10  1  0.64512400  0.43380000  0.78867600  1.0
  O  O11  1  0.35487600  0.14355100  0.78867600  1.0
  O  O12  1  0.84581800  0.44860100  0.29441900  1.0
  O  O13  1  0.15418200  0.44860100  0.60278300  1.0
  O  O14  1  0.50000000  0.86466600  0.36466600  1.0
  O  O15  1  0.00000000  0.28307500  0.28307500  1.0
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