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CuSn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10598 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
CuSn
MP-ID
mp-10598
Elements
2
Sites
4
Density
8.1285
g/cm³
Volume
74.47
ų
Cell a
4.1375
Å
Cell b
4.1375
Å
Cell c
5.0227
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
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 24)
2θd (Å)Ihkl
30.65 2.9170 100.0 (1,-1,0,1)
30.65 2.9170 50.0 (1,0,-1,1)
35.75 2.5114 4.1 (0,0,0,2)
43.76 2.0688 62.5 (1,1,-2,0)
43.76 2.0688 31.3 (2,-1,-1,0)
44.03 2.0566 56.7 (1,-1,0,2)
44.03 2.0566 28.3 (1,0,-1,2)
54.37 1.6875 10.3 (0,2,-2,1)
54.37 1.6875 20.7 (2,0,-2,1)
57.74 1.5968 2.5 (1,-2,1,2)
57.74 1.5968 5.0 (2,-1,-1,2)
61.09 1.5168 14.7 (1,-1,0,3)
61.09 1.5168 7.4 (1,0,-1,3)
63.82 1.4585 18.2 (2,-2,0,2)
63.82 1.4585 9.1 (2,0,-2,2)
72.25 1.3076 9.2 (2,-3,1,1)
72.25 1.3076 13.9 (3,-2,-1,1)
72.25 1.3076 4.6 (3,-1,-2,1)
75.75 1.2557 6.2 (0,0,0,4)
78.13 1.2233 3.8 (0,2,-2,3)
78.13 1.2233 7.6 (2,0,-2,3)
80.40 1.1944 5.3 (0,3,-3,0)
80.40 1.1944 5.3 (3,-3,0,0)
80.40 1.1944 5.3 (3,0,-3,0)
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Energy Properties

Formation Energy/atom
0.00922
eV/atom
Energy/atom
-17.78727
eV/atom
Energy above Hull
0.0092
eV/atom
Uncorrected Energy
-17.7873
eV/atom
Volume/atom
18.62
ų
c/a Ratio
1.2140

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
76.069
GPa
GVRH
40.891
GPa
Young's Modulus E
104.032
GPa
Poisson Ratio ν
0.272
Pugh Ratio K/G
1.860
Vickers Hardness Est.
5.481
GPa
Ductility
Brittle
Anisotropy
0.393
Lame λ
48.808
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.828
Family
Cu-based Alloy
Matrix Element
Cu · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3930
Homogeneous Poisson ν
0.2720
Debye Temperature
280.4
K
Sound Velocity
2,496.6
m/s
Homogeneity
0.2720

Related Tasks

Related computation task IDs (5)
aaadmpfq aaadstjb aaaehgcr aaaeuwso aaafssjy

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10598
Reference Citation

The crystal structure and related material properties of CuSn were obtained from the Materials Project database (MP-ID: mp-10598, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13752751
_cell_length_b   4.13752831
_cell_length_c   5.02273905
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn
_chemical_formula_sum   'Cu2 Sn2'
_cell_volume   74.46515764
_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
  Cu  Cu0  1  0.00000000  -0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.00000000  -0.00000000  0.50000000  1.0
  Sn  Sn2  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn3  1  0.66666700  0.33333300  0.75000000  1.0
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