K2NaSnI5
Alexandria ALEXAlex-ID: agm005155599 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
Na2SnI4 K6SnI8 SnI2
2023-01-16 12:03:23.902267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155599).
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 agm005155599
data_agm005155599
_cell_length_a 4.87672
_cell_length_b 10.39196
_cell_length_c 16.15802
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.57036
_cell_volume 796.00680
_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 0.85351 0.70703 0.80242 1.00000
K2 K 0.10364 0.20728 0.65535 1.00000
K3 K 0.14649 0.29297 0.30242 1.00000
K4 K 0.89636 0.79272 0.15535 1.00000
Na1 Na 0.77876 0.55753 0.53623 1.00000
Na2 Na 0.22124 0.44247 0.03623 1.00000
Sn1 Sn 0.54080 0.08161 0.94551 1.00000
Sn2 Sn 0.45920 0.91839 0.44551 1.00000
I1 I 0.37688 0.75375 0.98604 1.00000
I2 I 0.68717 0.37435 0.90091 1.00000
I3 I 0.49854 0.99708 0.76115 1.00000
I4 I 0.27368 0.54736 0.67170 1.00000
I5 I 0.93933 0.87866 0.56466 1.00000
I6 I 0.62312 0.24625 0.48604 1.00000
I7 I 0.31283 0.62565 0.40091 1.00000
I8 I 0.50146 0.00292 0.26115 1.00000
I9 I 0.72632 0.45264 0.17170 1.00000
I10 I 0.06067 0.12134 0.06466 1.00000
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