Ti2Sn
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1008688 · Space group: F-43m (#216)
Basic Information
Formula
Ti2Sn
MP-ID
mp-1008688
Elements
2
Sites
3
Density
5.1842
g/cm³
Volume
68.69
ų
Cell a
4.5969
Å
Cell b
4.5969
Å
Cell c
4.5969
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.71 | 3.7534 | 40.0 | (1,1,1) |
| 27.44 | 3.2505 | 40.5 | (1,1,0) |
| 39.19 | 2.2985 | 100.0 | (2,1,1) |
| 46.32 | 1.9601 | 21.4 | (2,2,1) |
| 48.51 | 1.8767 | 11.8 | (2,2,2) |
| 56.63 | 1.6253 | 16.6 | (2,2,0) |
| 62.25 | 1.4914 | 9.3 | (3,2,2) |
| 64.06 | 1.4537 | 15.8 | (3,2,1) |
| 71.03 | 1.3270 | 33.4 | (3,3,2) |
| 76.08 | 1.2511 | 7.4 | (3,3,3) |
| 84.26 | 1.1492 | 10.7 | (4,2,2) |
| 89.10 | 1.0989 | 8.1 | (4,3,2) |
Energy Properties
Formation Energy/atom
0.23504
eV/atom
Energy/atom
-16.63886
eV/atom
Energy above Hull
0.6014
eV/atom
Uncorrected Energy
-6.3319
eV/atom
Volume/atom
22.90
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
3.9043
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.056840
μB/ų
Elastic Properties
KVRH
73.050
GPa
GVRH
17.188
GPa
Young's Modulus E
47.814
GPa
Poisson Ratio ν
0.391
Pugh Ratio K/G
4.250
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
2.396
Lame λ
61.591
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ti · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.713
Family
Ti-based Alloy
Matrix Element
Ti · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
2.3960
Homogeneous Poisson ν
0.3910
Debye Temperature
215.8
K
Sound Velocity
2,058.7
m/s
Homogeneity
0.3910
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008688
Reference Citation
The crystal structure and related material properties of Ti2Sn were obtained from the Materials Project database (MP-ID: mp-1008688, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Ti2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59690118
_cell_length_b 4.59690118
_cell_length_c 4.59690118
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2Sn
_chemical_formula_sum 'Ti2 Sn1'
_cell_volume 68.68794238
_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
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0
Ti Ti1 1 0.25000000 0.25000000 0.25000000 1.0
Sn Sn2 1 0.75000000 0.75000000 0.75000000 1.0
