AgSn3
Traditional Materials TRAMP-ID: mp-1183248 · Space group: P6_3/mmc (#194)
Basic Information
Formula
AgSn3
MP-ID
mp-1183248
Elements
2
Sites
8
Density
7.5225
g/cm³
Volume
204.85
ų
Cell a
6.7735
Å
Cell b
6.7735
Å
Cell c
5.1556
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 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.48 | 2.9330 | 24.3 | (2,0,-2,0) |
| 34.80 | 2.5778 | 23.0 | (0,0,0,2) |
| 35.20 | 2.5493 | 100.0 | (2,0,-2,1) |
| 46.93 | 1.9363 | 14.9 | (2,0,-2,2) |
| 54.16 | 1.6934 | 13.0 | (4,-2,-2,0) |
| 54.16 | 1.6934 | 6.5 | (2,2,-4,0) |
| 62.65 | 1.4828 | 19.1 | (2,0,-2,3) |
| 63.43 | 1.4665 | 1.0 | (4,-4,0,0) |
| 63.43 | 1.4665 | 2.0 | (4,0,-4,0) |
| 66.01 | 1.4153 | 14.5 | (4,-2,-2,2) |
| 66.01 | 1.4153 | 7.3 | (2,2,-4,2) |
| 66.26 | 1.4105 | 5.4 | (4,-4,0,1) |
| 66.26 | 1.4105 | 10.8 | (4,0,-4,1) |
| 73.47 | 1.2889 | 2.7 | (0,0,0,4) |
| 74.43 | 1.2747 | 3.9 | (4,0,-4,2) |
| 81.59 | 1.1800 | 3.1 | (2,0,-2,4) |
| 87.43 | 1.1155 | 2.7 | (4,-4,0,3) |
| 87.43 | 1.1155 | 5.4 | (4,0,-4,3) |
Energy Properties
Formation Energy/atom
0.11149
eV/atom
Energy/atom
-23.78712
eV/atom
Energy above Hull
0.1115
eV/atom
Uncorrected Energy
-3.6102
eV/atom
Volume/atom
25.61
ų
c/a Ratio
0.7612
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
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 · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.857
Family
Binary Alloy
Matrix Element
Sn · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183248
Reference Citation
The crystal structure and related material properties of AgSn3 were obtained from the Materials Project database (MP-ID: mp-1183248, 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_AgSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77345466
_cell_length_b 6.77345466
_cell_length_c 5.15562500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000647
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgSn3
_chemical_formula_sum 'Ag2 Sn6'
_cell_volume 204.84830783
_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
Ag Ag0 1 0.33333300 0.66666700 0.75000000 1.0
Ag Ag1 1 0.66666700 0.33333300 0.25000000 1.0
Sn Sn2 1 0.16951800 0.33903600 0.25000000 1.0
Sn Sn3 1 0.66096400 0.83048200 0.25000000 1.0
Sn Sn4 1 0.16951800 0.83048200 0.25000000 1.0
Sn Sn5 1 0.83048200 0.66096400 0.75000000 1.0
Sn Sn6 1 0.33903600 0.16951800 0.75000000 1.0
Sn Sn7 1 0.83048200 0.16951800 0.75000000 1.0
