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Si3Pt2

Traditional Materials TRA

MP-ID: mp-10744 · Space group: P6_3/mmc (#194)

Basic Information

Formula
Si3Pt2
MP-ID
mp-10744
Elements
2
Sites
10
Density
9.8982
g/cm³
Volume
159.18
ų
Cell a
3.9114
Å
Cell b
3.9114
Å
Cell c
12.0143
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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
14.75 6.0071 4.0 (0,0,0,2)
26.31 3.3874 37.8 (1,0,-1,0)
26.31 3.3874 18.9 (0,1,-1,0)
27.36 3.2603 100.0 (1,0,-1,1)
27.36 3.2603 50.0 (0,1,-1,1)
29.74 3.0036 43.7 (0,0,0,4)
34.68 2.5863 25.6 (1,0,-1,3)
40.12 2.2473 15.5 (1,0,-1,4)
40.12 2.2473 31.0 (1,-1,0,4)
45.29 2.0024 1.1 (0,0,0,6)
46.33 1.9598 82.7 (1,0,-1,5)
46.43 1.9557 49.4 (2,-1,-1,0)
46.43 1.9557 24.7 (1,-2,1,0)
53.13 1.7237 3.7 (1,0,-1,6)
54.15 1.6937 2.7 (2,0,-2,0)
54.15 1.6937 2.7 (2,-2,0,0)
54.15 1.6937 2.7 (0,2,-2,0)
54.73 1.6771 7.6 (2,0,-2,1)
54.73 1.6771 7.6 (2,-2,0,1)
54.73 1.6771 7.6 (0,2,-2,1)
56.12 1.6389 15.2 (2,-1,-1,4)
56.12 1.6389 15.2 (1,1,-2,4)
56.12 1.6389 15.2 (1,-2,1,4)
59.23 1.5599 1.9 (2,0,-2,3)
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Energy Properties

Formation Energy/atom
-0.54432
eV/atom
Energy/atom
-26.40366
eV/atom
Energy above Hull
0.0133
eV/atom
Uncorrected Energy
-26.4037
eV/atom
Volume/atom
15.92
ų
c/a Ratio
3.0716

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
161.294
GPa
GVRH
15.067
GPa
Young's Modulus E
43.836
GPa
Poisson Ratio ν
0.455
Pugh Ratio K/G
10.705
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-7.562
Lame λ
151.249
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.600

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.658
Family
Binary Alloy
Matrix Element
Si · 0.600

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10744
Reference Citation

The crystal structure and related material properties of Si3Pt2 were obtained from the Materials Project database (MP-ID: mp-10744, 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_Si3Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91138822
_cell_length_b   3.91138691
_cell_length_c   12.01426456
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3Pt2
_chemical_formula_sum   'Si6 Pt4'
_cell_volume   159.18038477
_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  0.33333300  0.66666700  0.56460365  1.0
  Si  Si1  1  0.66666700  0.33333300  0.06460365  1.0
  Si  Si2  1  0.66666700  0.33333300  0.43539635  1.0
  Si  Si3  1  0.33333300  0.66666700  0.93539635  1.0
  Si  Si4  1  -0.00000000  -0.00000000  0.25000000  1.0
  Si  Si5  1  -0.00000000  0.00000000  0.75000000  1.0
  Pt  Pt6  1  0.33333300  0.66666700  0.36306572  1.0
  Pt  Pt7  1  0.66666700  0.33333300  0.86306572  1.0
  Pt  Pt8  1  0.66666700  0.33333300  0.63693428  1.0
  Pt  Pt9  1  0.33333300  0.66666700  0.13693428  1.0
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