SnCl
Traditional Materials TRAMP-ID: mp-978928 · Space group: P6_3mc (#186)
Basic Information
Formula
SnCl
MP-ID
mp-978928
Elements
2
Sites
4
Density
4.8030
g/cm³
Volume
106.60
ų
Cell a
3.4976
Å
Cell b
3.4976
Å
Cell c
10.0622
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.63 | 5.0311 | 58.0 | (0,0,0,2) |
| 29.49 | 3.0290 | 46.2 | (1,0,-1,0) |
| 30.83 | 2.9004 | 100.0 | (1,0,-1,1) |
| 30.83 | 2.9004 | 50.0 | (1,-1,0,1) |
| 34.56 | 2.5950 | 12.3 | (1,0,-1,2) |
| 34.56 | 2.5950 | 6.2 | (1,-1,0,2) |
| 35.69 | 2.5156 | 35.8 | (0,0,0,4) |
| 40.11 | 2.2480 | 90.5 | (1,0,-1,3) |
| 46.95 | 1.9352 | 24.5 | (1,0,-1,4) |
| 52.31 | 1.7488 | 12.1 | (1,1,-2,0) |
| 52.31 | 1.7488 | 24.3 | (2,-1,-1,0) |
| 54.73 | 1.6770 | 4.3 | (0,0,0,6) |
| 54.76 | 1.6762 | 24.4 | (1,0,-1,5) |
| 55.64 | 1.6518 | 7.1 | (1,1,-2,2) |
| 55.64 | 1.6518 | 14.2 | (2,-1,-1,2) |
| 61.20 | 1.5145 | 3.8 | (2,0,-2,0) |
| 61.20 | 1.5145 | 1.9 | (2,-2,0,0) |
| 61.96 | 1.4976 | 14.1 | (2,0,-2,1) |
| 61.96 | 1.4976 | 7.1 | (2,-2,0,1) |
| 63.40 | 1.4672 | 4.2 | (1,0,-1,6) |
| 64.23 | 1.4502 | 2.4 | (2,0,-2,2) |
| 64.23 | 1.4502 | 1.2 | (2,-2,0,2) |
| 64.94 | 1.4359 | 12.4 | (1,1,-2,4) |
| 64.94 | 1.4359 | 24.8 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
-0.81084
eV/atom
Energy/atom
-3.73990
eV/atom
Energy above Hull
0.2412
eV/atom
Uncorrected Energy
-3.4329
eV/atom
Volume/atom
26.65
ų
c/a Ratio
2.8769
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 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
0.548
Family
Binary Alloy
Matrix Element
Sn · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-978928
Reference Citation
The crystal structure and related material properties of SnCl were obtained from the Materials Project database (MP-ID: mp-978928, 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_SnCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49754541
_cell_length_b 3.49754541
_cell_length_c 10.06220900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998875
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnCl
_chemical_formula_sum 'Sn2 Cl2'
_cell_volume 106.59841250
_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 0.82051000 1.0
Sn Sn1 1 0.33333300 0.66666700 0.32051000 1.0
Cl Cl2 1 0.66666700 0.33333300 0.55449100 1.0
Cl Cl3 1 0.33333300 0.66666700 0.05449100 1.0
