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SrSnH8

Alexandria ALEX

Alex-ID: agm091556544 · Space group: P1 (#1)

Basic Information

Formula
SrSnH8
Alex-ID
agm091556544
Elements
3
Sites
20
Space group
P1 (#1)
Crystal system
triclinic
Volume
282.82
ų
Cell a
6.2642
Å
Cell b
6.5564
Å
Cell c
7.4133
Å
α angle
104.85
°
β angle
89.41
°
γ angle
105.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrSnH8
Sr
2.00 · 10.0%
Sn
2.00 · 10.0%
H
16.00 · 80.0%

Energy & Stability

Energy above hull
0.0922
eV/atom
Formation energy
-0.1185
eV/atom
Corrected total energy
-65.5909
eV
Raw total energy
-65.5909
eV

Electronic Structure

Indirect band gap
0.7068
eV
Direct band gap
1.0211
eV
DOS at Fermi level
-0.1160
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC8_422_spg1

Decomposition

SrH10 SnH2 SrH2

Computed at

2025-05-28 23:38:24

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: agm091556544).

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 agm091556544
data_agm091556544
_cell_length_a     6.26416
_cell_length_b     6.55638
_cell_length_c     7.41325
_cell_angle_alpha  104.84790
_cell_angle_beta   89.41134
_cell_angle_gamma  105.65147
_cell_volume       282.81780
_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
  Sr1 Sr 0.38100 0.61536 0.06559 1.00000
  Sr2 Sr 0.70786 0.52224 0.51864 1.00000
  Sn1 Sn 0.95714 0.94120 0.93403 1.00000
  Sn2 Sn 0.93597 0.04510 0.32007 1.00000
  H1 H 0.18430 0.61830 0.49863 1.00000
  H2 H 0.60515 0.33807 0.95416 1.00000
  H3 H 0.52161 0.09911 0.54530 1.00000
  H4 H 0.37556 0.91053 0.85684 1.00000
  H5 H 0.40797 0.46083 0.31019 1.00000
  H6 H 0.95376 0.46942 0.78805 1.00000
  H7 H 0.50228 0.50865 0.77444 1.00000
  H8 H 0.97008 0.56578 0.18971 1.00000
  H9 H 0.15078 0.71492 0.56330 1.00000
  H10 H 0.58807 0.31278 0.04910 1.00000
  H11 H 0.46247 0.16722 0.61706 1.00000
  H12 H 0.49776 0.90747 0.85249 1.00000
  H13 H 0.97552 0.44829 0.18478 1.00000
  H14 H 0.96494 0.36196 0.72216 1.00000
  H15 H 0.71841 0.77999 0.30808 1.00000
  H16 H 0.13938 0.21277 0.94739 1.00000
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