K2Sn(BrCl)2
Alexandria ALEXAlex-ID: agm004540933 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_66_spg71
K6SnCl8 KSnCl3 KSnBr3
2022-06-22 02:02:53.137242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004540933).
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 agm004540933
data_agm004540933
_cell_length_a 4.37880
_cell_length_b 7.94097
_cell_length_c 8.65295
_cell_angle_alpha 59.26382
_cell_angle_beta 75.12882
_cell_angle_gamma 89.74241
_cell_volume 247.02980
_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
K1 K 0.15630 0.70135 0.68539 1.00000
K2 K 0.84370 0.29865 0.31461 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.52209 0.29376 0.95152 1.00000
Br2 Br 0.47791 0.70624 0.04848 1.00000
Cl1 Cl 0.19210 0.13654 0.61587 1.00000
Cl2 Cl 0.80790 0.86346 0.38413 1.00000
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