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SnH7N2

Alexandria ALEX

Alex-ID: agm006197652 · Space group: P1 (#1)

Basic Information

Formula
SnH7N2
Alex-ID
agm006197652
Elements
3
Sites
10
Space group
P1 (#1)
Crystal system
triclinic
Volume
117.09
ų
Cell a
3.7313
Å
Cell b
5.0025
Å
Cell c
8.4560
Å
α angle
107.96
°
β angle
67.29
°
γ angle
69.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SnH7N2
H
7.00 · 70.0%
Sn
1.00 · 10.0%
N
2.00 · 20.0%

Energy & Stability

Energy above hull
0.2063
eV/atom
Formation energy
-0.2402
eV/atom
Corrected total energy
-44.9878
eV
Raw total energy
-44.9878
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.5675
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_858_spg1

Decomposition

H9N H3N Sn

Computed at

2024-02-01 11:20:42

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: agm006197652).

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 agm006197652
data_agm006197652
_cell_length_a     3.73135
_cell_length_b     5.00245
_cell_length_c     8.45598
_cell_angle_alpha  107.96247
_cell_angle_beta   67.28878
_cell_angle_gamma  69.53697
_cell_volume       117.09411
_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 0.16087 0.94815 0.36120 1.00000
  H2 H 0.86924 0.82314 0.62710 1.00000
  H3 H 0.55390 0.67097 0.68823 1.00000
  H4 H 0.99882 0.14245 0.11464 1.00000
  H5 H 0.49994 0.88251 0.44668 1.00000
  H6 H 0.52625 0.06870 0.30954 1.00000
  H7 H 0.52567 0.44225 0.95578 1.00000
  Sn1 Sn 0.06848 0.32521 0.96568 1.00000
  N1 N 0.54570 0.86802 0.67256 1.00000
  N2 N 0.48352 0.88597 0.32673 1.00000
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