Cs2KSnI5
Alexandria ALEXAlex-ID: agm005155659 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
K6SnI8 CsSnI3 Cs4SnI6
2023-01-09 10:44:19.592601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155659).
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 agm005155659
data_agm005155659
_cell_length_a 5.44152
_cell_length_b 11.11587
_cell_length_c 15.84764
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.16785
_cell_volume 929.42196
_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
Cs1 Cs 0.85304 0.70608 0.80951 1.00000
Cs2 Cs 0.10954 0.21907 0.68930 1.00000
Cs3 Cs 0.14696 0.29392 0.30951 1.00000
Cs4 Cs 0.89046 0.78093 0.18930 1.00000
K1 K 0.78743 0.57487 0.52042 1.00000
K2 K 0.21257 0.42513 0.02042 1.00000
Sn1 Sn 0.52809 0.05617 0.94945 1.00000
Sn2 Sn 0.47191 0.94383 0.44945 1.00000
I1 I 0.38023 0.76045 0.99901 1.00000
I2 I 0.66639 0.33279 0.87787 1.00000
I3 I 0.48618 0.97236 0.76687 1.00000
I4 I 0.28327 0.56655 0.66388 1.00000
I5 I 0.95253 0.90506 0.54766 1.00000
I6 I 0.61977 0.23955 0.49901 1.00000
I7 I 0.33361 0.66721 0.37787 1.00000
I8 I 0.51382 0.02764 0.26687 1.00000
I9 I 0.71673 0.43345 0.16388 1.00000
I10 I 0.04747 0.09494 0.04766 1.00000
Get direct link