Basic Information
Formula
Cu3Sn
MP-ID
mp-838
Elements
2
Sites
4
Density
8.7647
g/cm³
Volume
58.61
ų
Cell a
4.3601
Å
Cell b
4.3601
Å
Cell c
4.3601
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
No
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.01 | 3.5600 | 6.0 | (1,1,1) |
| 28.96 | 3.0830 | 3.2 | (1,1,0) |
| 41.42 | 2.1800 | 100.0 | (2,1,1) |
| 49.00 | 1.8591 | 3.5 | (2,2,1) |
| 51.33 | 1.7800 | 1.0 | (2,2,2) |
| 60.01 | 1.5415 | 16.1 | (2,2,0) |
| 66.05 | 1.4146 | 1.7 | (3,2,2) |
| 67.99 | 1.3788 | 1.6 | (3,2,1) |
| 75.54 | 1.2586 | 32.0 | (3,3,2) |
| 81.03 | 1.1867 | 1.5 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.07357
eV/atom
Energy/atom
-14.24807
eV/atom
Energy above Hull
0.0736
eV/atom
Uncorrected Energy
-4.0149
eV/atom
Volume/atom
14.65
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
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
149.365
GPa
GVRH
18.618
GPa
Young's Modulus E
53.626
GPa
Poisson Ratio ν
0.440
Pugh Ratio K/G
8.023
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
16.426
Lame λ
136.953
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.882
Family
Cu-based Alloy
Matrix Element
Cu · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-838
Reference Citation
The crystal structure and related material properties of Cu3Sn were obtained from the Materials Project database (MP-ID: mp-838, 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_Cu3Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36005577
_cell_length_b 4.36005577
_cell_length_c 4.36005577
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu3Sn
_chemical_formula_sum 'Cu3 Sn1'
_cell_volume 58.60857132
_cell_formula_units_Z 1
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
Cu Cu0 1 0.50000000 0.50000000 0.50000000 1.0
Cu Cu1 1 0.25000000 0.25000000 0.25000000 1.0
Cu Cu2 1 0.75000000 0.75000000 0.75000000 1.0
Sn Sn3 1 0.00000000 0.00000000 0.00000000 1.0
