LaSn
Traditional Materials TRAMP-ID: mp-1018047 · Space group: Cmcm (#63)
Basic Information
Formula
LaSn
MP-ID
mp-1018047
Elements
2
Sites
4
Density
6.6298
g/cm³
Volume
129.05
ų
Cell a
4.4461
Å
Cell b
4.8409
Å
Cell c
6.4659
Å
α Angle
111.98
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 14.77 | 5.9957 | 11.4 | (0,0,1) |
| 19.78 | 4.4890 | 1.5 | (0,1,0) |
| 24.93 | 3.5713 | 4.1 | (1,0,1) |
| 28.25 | 3.1589 | 100.0 | (1,1,0) |
| 28.25 | 3.1589 | 100.0 | (1,1,-1) |
| 28.97 | 3.0822 | 19.8 | (0,1,1) |
| 28.97 | 3.0822 | 19.8 | (0,1,-2) |
| 29.80 | 2.9979 | 63.4 | (0,0,2) |
| 35.44 | 2.5331 | 76.7 | (1,1,1) |
| 35.44 | 2.5331 | 76.7 | (1,1,-2) |
| 36.14 | 2.4856 | 36.3 | (1,0,2) |
| 37.14 | 2.4205 | 58.8 | (0,2,-1) |
| 40.18 | 2.2445 | 1.0 | (0,2,0) |
| 40.18 | 2.2445 | 1.0 | (0,2,-2) |
| 40.58 | 2.2230 | 46.1 | (2,0,0) |
| 42.04 | 2.1490 | 1.8 | (0,1,2) |
| 42.04 | 2.1490 | 1.8 | (0,1,-3) |
| 43.41 | 2.0844 | 1.6 | (2,0,1) |
| 45.38 | 1.9986 | 2.2 | (0,0,3) |
| 46.96 | 1.9349 | 4.8 | (1,1,2) |
| 46.96 | 1.9349 | 4.8 | (1,1,-3) |
| 48.33 | 1.8833 | 16.8 | (0,2,1) |
| 48.33 | 1.8833 | 16.8 | (0,2,-3) |
| 50.04 | 1.8229 | 9.1 | (1,0,3) |
Energy Properties
Formation Energy/atom
-0.92604
eV/atom
Energy/atom
-28.17152
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.1715
eV/atom
Volume/atom
32.26
ų
c/a Ratio
1.4543
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0001
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
La · 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
0.624
Family
Binary Alloy
Matrix Element
La · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018047
Reference Citation
The crystal structure and related material properties of LaSn were obtained from the Materials Project database (MP-ID: mp-1018047, 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_LaSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44608222
_cell_length_b 4.84094002
_cell_length_c 6.46584897
_cell_angle_alpha 111.98392825
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaSn
_chemical_formula_sum 'La2 Sn2'
_cell_volume 129.04696864
_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
La La0 1 0.25000000 0.13621456 0.27242911 1.0
La La1 1 0.75000000 0.86378544 0.72757089 1.0
Sn Sn2 1 0.25000000 0.41352584 0.82704968 1.0
Sn Sn3 1 0.75000000 0.58647416 0.17295032 1.0
