SnH2F8
Alexandria ALEXAlex-ID: agm005980596 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1148_spg2
SnH3F9 HF8 SnF4
2023-07-11 14:00:42.072771
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005980596).
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
@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…
# CIF generated by HEAS from Alexandria entry agm005980596
data_agm005980596
_cell_length_a 8.78296
_cell_length_b 5.07598
_cell_length_c 8.27562
_cell_angle_alpha 105.16087
_cell_angle_beta 88.17966
_cell_angle_gamma 149.53295
_cell_volume 165.82285
_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
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.85116 0.66110 0.62182 1.00000
H2 H 0.14884 0.33890 0.37818 1.00000
F1 F 0.18843 0.65671 0.13256 1.00000
F2 F 0.48488 0.65560 0.08601 1.00000
F3 F 0.81157 0.34329 0.86744 1.00000
F4 F 0.29434 0.71155 0.51648 1.00000
F5 F 0.51512 0.34440 0.91399 1.00000
F6 F 0.99523 0.94886 0.24056 1.00000
F7 F 0.00477 0.05114 0.75944 1.00000
F8 F 0.70566 0.28845 0.48352 1.00000
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