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Ag(SnH3)2

Alexandria ALEX

Alex-ID: agm097777154 · Space group: Amm2 (#38)

Basic Information

Formula
Ag(SnH3)2
Alex-ID
agm097777154
Elements
3
Sites
9
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
115.96
ų
Cell a
3.6556
Å
Cell b
3.6583
Å
Cell c
8.6716
Å
α angle
89.99
°
β angle
90.02
°
γ angle
89.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag(SnH3)2
Ag
1.00 · 11.1%
Sn
2.00 · 22.2%
H
6.00 · 66.7%

Energy & Stability

Energy above hull
0.3988
eV/atom
Formation energy
0.3740
eV/atom
Corrected total energy
-26.9289
eV
Raw total energy
-26.9289
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.5947
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_587_spg99

Decomposition

SnH2 Ag H2

Computed at

2025-04-29 17:06:31

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: agm097777154).

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 agm097777154
data_agm097777154
_cell_length_a     3.65561
_cell_length_b     3.65827
_cell_length_c     8.67161
_cell_angle_alpha  89.98641
_cell_angle_beta   90.01999
_cell_angle_gamma  89.59843
_cell_volume       115.96412
_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
  Ag1 Ag 0.49121 0.48944 0.75006 1.00000
  Sn1 Sn 0.89550 0.89651 0.06643 1.00000
  Sn2 Sn 0.89615 0.89565 0.43366 1.00000
  H1 H 0.54434 0.54673 0.01327 1.00000
  H2 H 0.54491 0.54569 0.48660 1.00000
  H3 H 0.49473 0.99282 0.74991 1.00000
  H4 H 0.59233 0.04767 0.25008 1.00000
  H5 H 0.99451 0.49296 0.75004 1.00000
  H6 H 0.04634 0.59253 0.24995 1.00000
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