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Si2W

Elasticity Data ELA

MP-ID: mp-8939 · Space group: P6_222 (#180)

Basic Information

Formula
Si2W
MP-ID
mp-8939
Elements
2
Sites
9
Density
9.7352
g/cm³
Volume
122.82
ų
Cell a
4.6169
Å
Cell b
4.6169
Å
Cell c
6.6532
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_222
Point Group
622
Crystal System
Hexagonal
Bravais Lattice
Hexagonal 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
22.23 3.9983 17.0 (1,0,-1,0)
26.00 3.4271 100.0 (1,0,-1,1)
35.09 2.5572 15.7 (1,-1,0,2)
35.09 2.5572 31.3 (1,0,-1,2)
39.02 2.3084 10.6 (2,-1,-1,0)
40.68 2.2177 28.4 (0,0,0,3)
41.40 2.1809 48.0 (2,-1,-1,1)
41.40 2.1809 24.0 (1,1,-2,1)
45.36 1.9992 8.7 (2,-2,0,0)
45.36 1.9992 17.4 (2,0,-2,0)
46.84 1.9394 5.1 (1,0,-1,3)
47.97 1.8965 31.4 (2,-1,-1,2)
47.97 1.8965 15.7 (1,1,-2,2)
57.64 1.5993 4.5 (2,-1,-1,3)
57.64 1.5993 2.3 (1,1,-2,3)
60.26 1.5357 10.2 (1,0,-1,4)
62.55 1.4849 6.8 (2,-2,0,3)
62.55 1.4849 13.6 (2,0,-2,3)
63.08 1.4737 11.7 (3,-1,-2,1)
63.08 1.4737 5.8 (2,1,-3,1)
68.15 1.3759 9.3 (3,-1,-2,2)
68.15 1.3759 4.6 (2,1,-3,2)
69.68 1.3495 10.4 (2,-1,-1,4)
69.68 1.3495 5.2 (1,1,-2,4)
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Energy Properties

Formation Energy/atom
-0.23204
eV/atom
Energy/atom
-23.20382
eV/atom
Energy above Hull
0.0679
eV/atom
Uncorrected Energy
-8.2144
eV/atom
Volume/atom
13.65
ų
c/a Ratio
1.4411

Electronic Properties

Metallic
Non-metal
Band Gap
0.034
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
220.371
GPa
GVRH
147.913
GPa
Young's Modulus E
362.611
GPa
Poisson Ratio ν
0.226
Pugh Ratio K/G
1.490
Vickers Hardness Est.
20.329
GPa
Ductility
Ductile
Anisotropy
0.089
Lame λ
121.762
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0890
Homogeneous Poisson ν
0.2260
Debye Temperature
537.5
K
Sound Velocity
4,315.4
m/s
Homogeneity
0.2260

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8939
Reference Citation

The crystal structure and related material properties of Si2W were obtained from the Materials Project database (MP-ID: mp-8939, 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_Si2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61685276
_cell_length_b   4.61685276
_cell_length_c   6.65322200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2W
_chemical_formula_sum   'Si6 W3'
_cell_volume   122.81591499
_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
  Si  Si0  1  0.16362600  0.83637400  0.16666700  1.0
  Si  Si1  1  0.83637400  0.67274700  0.83333300  1.0
  Si  Si2  1  0.32725300  0.16362600  0.50000000  1.0
  Si  Si3  1  0.83637400  0.16362600  0.16666700  1.0
  Si  Si4  1  0.16362600  0.32725300  0.83333300  1.0
  Si  Si5  1  0.67274700  0.83637400  0.50000000  1.0
  W  W6  1  0.00000000  0.50000000  0.50000000  1.0
  W  W7  1  0.50000000  0.00000000  0.83333300  1.0
  W  W8  1  0.50000000  0.50000000  0.16666700  1.0
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