Basic Information
Formula
Sn3Pt2
MP-ID
mp-30846
Elements
2
Sites
10
Density
11.4482
g/cm³
Volume
216.50
ų
Cell a
4.3738
Å
Cell b
4.3738
Å
Cell c
13.0681
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
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 13.55 | 6.5340 | 5.1 | (0,0,0,2) |
| 23.49 | 3.7878 | 17.2 | (1,0,-1,0) |
| 23.49 | 3.7878 | 17.2 | (1,-1,0,0) |
| 23.49 | 3.7878 | 17.2 | (0,1,-1,0) |
| 24.47 | 3.6381 | 24.1 | (1,0,-1,1) |
| 24.47 | 3.6381 | 48.3 | (1,-1,0,1) |
| 27.21 | 3.2770 | 15.7 | (1,0,-1,2) |
| 27.21 | 3.2770 | 15.7 | (1,-1,0,2) |
| 27.21 | 3.2770 | 15.7 | (0,1,-1,2) |
| 27.30 | 3.2670 | 24.6 | (0,0,0,4) |
| 31.29 | 2.8583 | 1.8 | (1,0,-1,3) |
| 31.29 | 2.8583 | 1.8 | (1,-1,0,3) |
| 31.29 | 2.8583 | 1.8 | (0,1,-1,3) |
| 36.31 | 2.4739 | 63.6 | (1,0,-1,4) |
| 36.31 | 2.4739 | 31.8 | (0,1,-1,4) |
| 41.28 | 2.1869 | 61.3 | (2,-1,-1,0) |
| 41.28 | 2.1869 | 61.3 | (1,1,-2,0) |
| 41.28 | 2.1869 | 61.3 | (1,-2,1,0) |
| 41.46 | 2.1780 | 1.1 | (0,0,0,6) |
| 42.00 | 2.1512 | 50.0 | (1,0,-1,5) |
| 42.00 | 2.1512 | 100.0 | (1,-1,0,5) |
| 48.04 | 1.8939 | 2.6 | (2,0,-2,0) |
| 48.04 | 1.8939 | 2.6 | (2,-2,0,0) |
| 48.04 | 1.8939 | 2.6 | (0,2,-2,0) |
Energy Properties
Formation Energy/atom
-0.52077
eV/atom
Energy/atom
-35.96356
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.9636
eV/atom
Volume/atom
21.65
ų
c/a Ratio
2.9878
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
102.187
GPa
GVRH
30.087
GPa
Young's Modulus E
82.194
GPa
Poisson Ratio ν
0.366
Pugh Ratio K/G
3.396
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.472
Lame λ
82.129
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.832
Family
Binary Alloy
Matrix Element
Sn · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30846
Reference Citation
The crystal structure and related material properties of Sn3Pt2 were obtained from the Materials Project database (MP-ID: mp-30846, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_Sn3Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37376576
_cell_length_b 4.37376293
_cell_length_c 13.06807250
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999845
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn3Pt2
_chemical_formula_sum 'Sn6 Pt4'
_cell_volume 216.49752371
_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
Sn Sn0 1 0.66666700 0.33333300 0.07117011 1.0
Sn Sn1 1 0.33333300 0.66666700 0.92882989 1.0
Sn Sn2 1 0.66666700 0.33333300 0.42882989 1.0
Sn Sn3 1 0.33333300 0.66666700 0.57117011 1.0
Sn Sn4 1 0.00000000 0.00000000 0.25000000 1.0
Sn Sn5 1 0.00000000 -0.00000000 0.75000000 1.0
Pt Pt6 1 0.33333300 0.66666700 0.14306497 1.0
Pt Pt7 1 0.66666700 0.33333300 0.64306497 1.0
Pt Pt8 1 0.33333300 0.66666700 0.35693503 1.0
Pt Pt9 1 0.66666700 0.33333300 0.85693503 1.0
