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AgSnB

Alexandria ALEX

Alex-ID: agm003036331 · Space group: Cc (#9)

Basic Information

Formula
AgSnB
Alex-ID
agm003036331
Elements
3
Sites
6
Space group
Cc (#9)
Crystal system
monoclinic
Volume
109.18
ų
Cell a
3.1816
Å
Cell b
6.5226
Å
Cell c
6.7801
Å
α angle
121.30
°
β angle
114.74
°
γ angle
77.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AgSnB
B
2.00 · 33.3%
Sn
2.00 · 33.3%
Ag
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2876
eV/atom
Formation energy
0.2830
eV/atom
Corrected total energy
-25.3648
eV
Raw total energy
-25.3648
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1454
eV
DOS at Fermi level
2.3837
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_862_spg9

Decomposition

Ag3Sn Sn B

Computed at

2015-05-02 17:54:56

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003036331).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm003036331
data_agm003036331
_cell_length_a     3.18155
_cell_length_b     6.52260
_cell_length_c     6.78008
_cell_angle_alpha  121.30391
_cell_angle_beta   114.74053
_cell_angle_gamma  77.44023
_cell_volume       109.18301
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  B1 B 0.64937 0.07444 0.36988 1.00000
  B2 B 0.14934 0.02776 0.34654 1.00000
  Sn1 Sn 0.94354 0.71796 0.90632 1.00000
  Sn2 Sn 0.44388 0.38434 0.23951 1.00000
  Ag1 Ag 0.57429 0.27443 0.79593 1.00000
  Ag2 Ag 0.07422 0.82778 0.57268 1.00000
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