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Si

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-92 · Space group: I4_1/amd (#141)

Basic Information

Formula
Si
MP-ID
mp-92
Elements
1
Sites
2
Density
3.1195
g/cm³
Volume
29.90
ų
Cell a
2.6585
Å
Cell b
3.6075
Å
Cell c
3.6075
Å
α Angle
82.20
°
β Angle
68.38
°
γ Angle
68.38
°
Space Group
I4_1/amd
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
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 13)
2θd (Å)Ihkl
37.94 2.3714 100.0 (0,1,1)
38.83 2.3190 93.3 (1,1,0)
54.74 1.6768 16.5 (0,0,2)
54.74 1.6768 16.5 (0,2,0)
55.42 1.6580 47.6 (1,0,2)
55.42 1.6580 15.9 (1,2,0)
69.13 1.3588 8.3 (1,-1,2)
69.13 1.3588 8.3 (1,2,-1)
77.20 1.2357 24.5 (2,2,1)
81.11 1.1857 10.8 (0,2,2)
81.67 1.1790 5.3 (1,0,3)
81.67 1.1790 5.3 (1,1,-2)
81.67 1.1790 10.7 (1,-2,1)
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Energy Properties

Formation Energy/atom
0.28874
eV/atom
Energy/atom
-8.48502
eV/atom
Energy above Hull
0.2887
eV/atom
Uncorrected Energy
-5.1366
eV/atom
Volume/atom
14.95
ų
c/a Ratio
1.3569

Electronic Properties

Metallic
Metal
Band Gap
0
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
107.613
GPa
GVRH
62.896
GPa
Young's Modulus E
157.921
GPa
Poisson Ratio ν
0.255
Pugh Ratio K/G
1.711
Vickers Hardness Est.
9.032
GPa
Ductility
Ductile
Anisotropy
0.454
Lame λ
65.682
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
1.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.380
Family
Pure Metal
Matrix Element
Si · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4540
Homogeneous Poisson ν
0.2550
Debye Temperature
602.6
K
Sound Velocity
4,988.2
m/s
Homogeneity
0.2550

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-92
Reference Citation

The crystal structure and related material properties of Si were obtained from the Materials Project database (MP-ID: mp-92, 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_Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65853078
_cell_length_b   3.60745856
_cell_length_c   3.60745936
_cell_angle_alpha   82.19654710
_cell_angle_beta   68.37828065
_cell_angle_gamma   68.37828147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si
_chemical_formula_sum   Si2
_cell_volume   29.89999910
_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
  Si  Si0  1  0.37500000  0.25000000  0.75000000  1.0
  Si  Si1  1  0.62500000  0.75000000  0.25000000  1.0
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