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Ag2SnH8

Alexandria ALEX

Alex-ID: agm006554202 · Space group: P-1 (#2)

Basic Information

Formula
Ag2SnH8
Alex-ID
agm006554202
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
131.76
ų
Cell a
3.1911
Å
Cell b
8.4740
Å
Cell c
5.1040
Å
α angle
102.51
°
β angle
102.05
°
γ angle
88.22
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag2SnH8
H
8.00 · 72.7%
Sn
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.3551
eV/atom
Formation energy
0.3449
eV/atom
Corrected total energy
-31.8290
eV
Raw total energy
-31.8290
eV

Electronic Structure

Indirect band gap
0.0593
eV
Direct band gap
0.2878
eV
DOS at Fermi level
0.8534
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_445_spg12

Decomposition

SnH2 Ag H2

Computed at

2023-12-28 13:46:46

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: agm006554202).

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 agm006554202
data_agm006554202
_cell_length_a     3.19111
_cell_length_b     8.47403
_cell_length_c     5.10402
_cell_angle_alpha  102.51042
_cell_angle_beta   102.05005
_cell_angle_gamma  88.21631
_cell_volume       131.76030
_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
  H1 H 0.59368 0.89155 0.25874 1.00000
  H2 H 0.39034 0.63416 0.58305 1.00000
  H3 H 0.04397 0.12702 0.17184 1.00000
  H4 H 0.10990 0.36743 0.91589 1.00000
  H5 H 0.95603 0.87298 0.82816 1.00000
  H6 H 0.60966 0.36584 0.41695 1.00000
  H7 H 0.40632 0.10845 0.74126 1.00000
  H8 H 0.89009 0.63257 0.08411 1.00000
  Sn1 Sn 0.50000 0.00000 0.00000 1.00000
  Ag1 Ag 0.25186 0.50065 0.25002 1.00000
  Ag2 Ag 0.74814 0.49935 0.74998 1.00000
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