Zn2SnI6
Alexandria ALEXAlex-ID: agm005677286 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1968_spg12
SnI2 ZnI2
2023-07-13 00:24:27.855322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677286).
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 agm005677286
data_agm005677286
_cell_length_a 4.33072
_cell_length_b 8.29298
_cell_length_c 12.52664
_cell_angle_alpha 110.66733
_cell_angle_beta 89.75797
_cell_angle_gamma 105.09960
_cell_volume 404.48318
_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
Zn1 Zn 0.78877 0.58723 0.27633 1.00000
Zn2 Zn 0.21122 0.41276 0.72367 1.00000
Sn1 Sn 0.00000 0.00000 1.00000 1.00000
I1 I 0.33450 0.68153 0.41019 1.00000
I2 I 0.66549 0.31846 0.58982 1.00000
I3 I 0.14543 0.28758 0.88802 1.00000
I4 I 0.60851 0.22241 0.19229 1.00000
I5 I 0.85457 0.71243 0.11198 1.00000
I6 I 0.39149 0.77759 0.80771 1.00000
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