Sn2H3F
Alexandria ALEXAlex-ID: agm071293326 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6284_spg1
SnH2F2 H9F Sn
2024-10-22 01:45:49.242046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071293326).
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 agm071293326
data_agm071293326
_cell_length_a 6.69298
_cell_length_b 8.68845
_cell_length_c 8.63973
_cell_angle_alpha 81.65242
_cell_angle_beta 88.67590
_cell_angle_gamma 99.02015
_cell_volume 490.40313
_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 0.76668 0.86745 0.05041 1.00000
Sn2 Sn 0.61060 0.96453 0.46801 1.00000
Sn3 Sn 0.12800 0.55374 0.47210 1.00000
Sn4 Sn 0.23505 0.52780 0.11356 1.00000
Sn5 Sn 0.71236 0.55582 0.24007 1.00000
Sn6 Sn 0.74243 0.35881 0.78501 1.00000
Sn7 Sn 0.12816 0.75838 0.72474 1.00000
Sn8 Sn 0.31508 0.10866 0.11518 1.00000
H1 H 0.92780 0.66025 0.36447 1.00000
H2 H 0.75718 0.55066 0.81719 1.00000
H3 H 0.26513 0.09964 0.91378 1.00000
H4 H 0.39901 0.87591 0.63751 1.00000
H5 H 0.96270 0.99922 0.12052 1.00000
H6 H 0.89589 0.41201 0.57936 1.00000
H7 H 0.77326 0.92485 0.85003 1.00000
H8 H 0.18846 0.30757 0.12651 1.00000
H9 H 0.94605 0.51751 0.10738 1.00000
H10 H 0.91765 0.24938 0.86042 1.00000
H11 H 0.55476 0.95499 0.10724 1.00000
H12 H 0.53359 0.27150 0.70070 1.00000
F1 F 0.54988 0.74213 0.39827 1.00000
F2 F 0.24807 0.54478 0.84888 1.00000
F3 F 0.57515 0.29312 0.02380 1.00000
F4 F 0.86702 0.90129 0.57487 1.00000
