Sn6I7Br5
Alexandria ALEXAlex-ID: agm005580423 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6C7_3_spg38
SnI2 SnBr2
2023-06-08 13:23:24.800758
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580423).
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 agm005580423
data_agm005580423
_cell_length_a 7.40529
_cell_length_b 7.40529
_cell_length_c 13.79354
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 93.92504
_cell_volume 754.64124
_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 0.99366 0.99366 0.16600 1.00000
Sn2 Sn 0.99366 0.99366 0.83400 1.00000
Sn3 Sn 0.01926 0.01926 0.50000 1.00000
Sn4 Sn 0.49726 0.49726 0.32681 1.00000
Sn5 Sn 0.49111 0.49111 0.00000 1.00000
Sn6 Sn 0.49726 0.49726 0.67319 1.00000
I1 I 0.19331 0.78379 1.00000 1.00000
I2 I 0.21261 0.80495 0.66799 1.00000
I3 I 0.21261 0.80495 0.33201 1.00000
I4 I 0.69967 0.69967 0.50000 1.00000
I5 I 0.78379 0.19331 0.00000 1.00000
I6 I 0.80495 0.21261 0.66799 1.00000
I7 I 0.80495 0.21261 0.33201 1.00000
Br1 Br 0.29729 0.29729 0.15662 1.00000
Br2 Br 0.29729 0.29729 0.84338 1.00000
Br3 Br 0.30726 0.30726 0.50000 1.00000
Br4 Br 0.69701 0.69701 0.17154 1.00000
Br5 Br 0.69701 0.69701 0.82846 1.00000
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