K2SnCl6
Alexandria ALEXAlex-ID: agm011498077 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_322_spg12
K2SnCl6
2024-07-21 04:13:39.141872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011498077).
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
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# CIF generated by HEAS from Alexandria entry agm011498077
data_agm011498077
_cell_length_a 7.25301
_cell_length_b 7.25301
_cell_length_c 7.36193
_cell_angle_alpha 59.92919
_cell_angle_beta 59.92919
_cell_angle_gamma 59.29212
_cell_volume 272.06626
_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 0.75202 0.75202 0.25516 1.00000
K2 K 0.24798 0.24798 0.74484 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Cl1 Cl 0.23438 0.23438 0.19603 1.00000
Cl2 Cl 0.76562 0.76562 0.80397 1.00000
Cl3 Cl 0.72042 0.20541 0.30349 1.00000
Cl4 Cl 0.79459 0.27958 0.69651 1.00000
Cl5 Cl 0.27958 0.79459 0.69651 1.00000
Cl6 Cl 0.20541 0.72042 0.30349 1.00000
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